USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 30 ASN : amide:sc= -0.0185 K(o=0.37,f=1) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 169:sc= 0.391 (180deg=0.324) USER MOD Single : A 19 THR OG1 : rot -170:sc= -1.95 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00263 K(o=-0.0026,f=-1.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.056 -6.242 -3.414 1.00 0.00 N ATOM 224 CA LEU A 17 8.910 -7.483 -4.167 1.00 0.00 C ATOM 225 C LEU A 17 7.482 -7.645 -4.677 1.00 0.00 C ATOM 226 O LEU A 17 6.560 -7.899 -3.902 1.00 0.00 O ATOM 227 CB LEU A 17 9.290 -8.679 -3.293 1.00 0.00 C ATOM 228 CG LEU A 17 9.858 -9.893 -4.029 1.00 0.00 C ATOM 229 CD1 LEU A 17 8.893 -10.367 -5.104 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.214 -9.564 -4.635 1.00 0.00 C ATOM 0 HA LEU A 17 9.580 -7.440 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.024 -8.348 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.406 -8.995 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 17 9.991 -10.700 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.315 -11.231 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.944 -10.645 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.727 -9.565 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.602 -10.440 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.107 -8.741 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.906 -9.275 -3.844 1.00 0.00 H new ATOM 242 N ALA A 18 7.307 -7.500 -5.986 1.00 0.00 N ATOM 243 CA ALA A 18 5.992 -7.634 -6.601 1.00 0.00 C ATOM 244 C ALA A 18 6.089 -7.580 -8.122 1.00 0.00 C ATOM 245 O ALA A 18 6.841 -6.781 -8.679 1.00 0.00 O ATOM 246 CB ALA A 18 5.057 -6.548 -6.092 1.00 0.00 C ATOM 0 H ALA A 18 8.060 -7.290 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 18 5.586 -8.607 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.079 -6.661 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.954 -6.634 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.467 -5.569 -6.340 1.00 0.00 H new ATOM 252 N THR A 19 5.323 -8.438 -8.791 1.00 0.00 N ATOM 253 CA THR A 19 5.324 -8.490 -10.247 1.00 0.00 C ATOM 254 C THR A 19 5.336 -7.087 -10.847 1.00 0.00 C ATOM 255 O THR A 19 4.997 -6.102 -10.190 1.00 0.00 O ATOM 256 CB THR A 19 4.099 -9.254 -10.783 1.00 0.00 C ATOM 257 OG1 THR A 19 2.998 -9.111 -9.879 1.00 0.00 O ATOM 258 CG2 THR A 19 4.421 -10.729 -10.969 1.00 0.00 C ATOM 0 H THR A 19 4.694 -9.106 -8.346 1.00 0.00 H new ATOM 0 HA THR A 19 6.230 -9.018 -10.544 1.00 0.00 H new ATOM 0 HB THR A 19 3.830 -8.832 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.278 -9.722 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.541 -11.249 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.240 -10.836 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.713 -11.161 -10.012 1.00 0.00 H new ATOM 266 N PRO A 20 5.737 -6.993 -12.123 1.00 0.00 N ATOM 267 CA PRO A 20 5.801 -5.716 -12.840 1.00 0.00 C ATOM 268 C PRO A 20 4.418 -5.142 -13.128 1.00 0.00 C ATOM 269 O PRO A 20 4.205 -3.934 -13.033 1.00 0.00 O ATOM 270 CB PRO A 20 6.513 -6.077 -14.146 1.00 0.00 C ATOM 271 CG PRO A 20 6.228 -7.526 -14.343 1.00 0.00 C ATOM 272 CD PRO A 20 6.156 -8.126 -12.965 1.00 0.00 C ATOM 0 HA PRO A 20 6.311 -4.948 -12.259 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.138 -5.483 -14.979 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.585 -5.890 -14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.291 -7.670 -14.880 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.011 -8.001 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.440 -8.947 -12.921 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.120 -8.527 -12.650 1.00 0.00 H new ATOM 280 N ALA A 21 3.481 -6.016 -13.480 1.00 0.00 N ATOM 281 CA ALA A 21 2.118 -5.595 -13.780 1.00 0.00 C ATOM 282 C ALA A 21 1.424 -5.055 -12.533 1.00 0.00 C ATOM 283 O ALA A 21 0.559 -4.184 -12.621 1.00 0.00 O ATOM 284 CB ALA A 21 1.326 -6.755 -14.367 1.00 0.00 C ATOM 0 H ALA A 21 3.641 -7.020 -13.564 1.00 0.00 H new ATOM 0 HA ALA A 21 2.164 -4.791 -14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.310 -6.428 -14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.804 -7.094 -15.286 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.296 -7.575 -13.649 1.00 0.00 H new ATOM 290 N VAL A 22 1.810 -5.578 -11.373 1.00 0.00 N ATOM 291 CA VAL A 22 1.224 -5.147 -10.109 1.00 0.00 C ATOM 292 C VAL A 22 1.839 -3.836 -9.637 1.00 0.00 C ATOM 293 O VAL A 22 1.153 -2.982 -9.075 1.00 0.00 O ATOM 294 CB VAL A 22 1.411 -6.213 -9.013 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.829 -5.730 -7.694 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.775 -7.529 -9.435 1.00 0.00 C ATOM 0 H VAL A 22 2.525 -6.300 -11.283 1.00 0.00 H new ATOM 0 HA VAL A 22 0.159 -5.001 -10.287 1.00 0.00 H new ATOM 0 HB VAL A 22 2.479 -6.381 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.970 -6.496 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.335 -4.815 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.236 -5.532 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.917 -8.270 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.291 -7.380 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.243 -7.881 -10.354 1.00 0.00 H new ATOM 306 N ARG A 23 3.139 -3.680 -9.871 1.00 0.00 N ATOM 307 CA ARG A 23 3.848 -2.471 -9.469 1.00 0.00 C ATOM 308 C ARG A 23 3.192 -1.231 -10.070 1.00 0.00 C ATOM 309 O ARG A 23 3.292 -0.135 -9.517 1.00 0.00 O ATOM 310 CB ARG A 23 5.314 -2.547 -9.901 1.00 0.00 C ATOM 311 CG ARG A 23 6.166 -3.435 -9.010 1.00 0.00 C ATOM 312 CD ARG A 23 7.492 -3.780 -9.671 1.00 0.00 C ATOM 313 NE ARG A 23 8.344 -4.586 -8.801 1.00 0.00 N ATOM 314 CZ ARG A 23 9.665 -4.655 -8.926 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.280 -3.970 -9.879 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.372 -5.412 -8.096 1.00 0.00 N ATOM 0 H ARG A 23 3.722 -4.376 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 23 3.800 -2.395 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.364 -2.919 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.735 -1.542 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.351 -2.930 -8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.623 -4.352 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.305 -4.322 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.013 -2.861 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 23 7.901 -5.125 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.739 -3.388 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.294 -4.025 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.901 -5.941 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.386 -5.465 -8.192 1.00 0.00 H new ATOM 330 N ARG A 24 2.524 -1.413 -11.203 1.00 0.00 N ATOM 331 CA ARG A 24 1.855 -0.308 -11.880 1.00 0.00 C ATOM 332 C ARG A 24 0.463 -0.078 -11.298 1.00 0.00 C ATOM 333 O ARG A 24 0.029 1.063 -11.132 1.00 0.00 O ATOM 334 CB ARG A 24 1.751 -0.589 -13.381 1.00 0.00 C ATOM 335 CG ARG A 24 0.586 0.117 -14.054 1.00 0.00 C ATOM 336 CD ARG A 24 0.850 0.341 -15.534 1.00 0.00 C ATOM 337 NE ARG A 24 -0.389 0.418 -16.306 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.097 -0.646 -16.666 1.00 0.00 C ATOM 339 NH1 ARG A 24 -0.694 -1.862 -16.325 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.214 -0.495 -17.366 1.00 0.00 N ATOM 0 H ARG A 24 2.431 -2.314 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 24 2.449 0.593 -11.726 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.679 -0.283 -13.864 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.651 -1.663 -13.535 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.320 -0.476 -13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.409 1.075 -13.566 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.417 1.263 -15.666 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.467 -0.471 -15.919 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.728 1.339 -16.583 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.162 -1.983 -15.784 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.240 -2.677 -16.603 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.529 0.439 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.757 -1.313 -17.642 1.00 0.00 H new ATOM 354 N LEU A 25 -0.232 -1.168 -10.992 1.00 0.00 N ATOM 355 CA LEU A 25 -1.575 -1.085 -10.428 1.00 0.00 C ATOM 356 C LEU A 25 -1.627 -0.070 -9.291 1.00 0.00 C ATOM 357 O LEU A 25 -2.686 0.472 -8.978 1.00 0.00 O ATOM 358 CB LEU A 25 -2.024 -2.457 -9.924 1.00 0.00 C ATOM 359 CG LEU A 25 -3.534 -2.680 -9.836 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.170 -2.571 -11.213 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.837 -4.035 -9.212 1.00 0.00 C ATOM 0 H LEU A 25 0.112 -2.119 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.253 -0.755 -11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.602 -3.218 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.595 -2.616 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.961 -1.905 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.245 -2.733 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.982 -1.579 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.739 -3.324 -11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.916 -4.177 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.398 -4.823 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.414 -4.076 -8.208 1.00 0.00 H new ATOM 373 N ALA A 26 -0.476 0.183 -8.677 1.00 0.00 N ATOM 374 CA ALA A 26 -0.390 1.136 -7.578 1.00 0.00 C ATOM 375 C ALA A 26 -0.202 2.558 -8.097 1.00 0.00 C ATOM 376 O ALA A 26 -0.978 3.454 -7.770 1.00 0.00 O ATOM 377 CB ALA A 26 0.749 0.760 -6.642 1.00 0.00 C ATOM 0 H ALA A 26 0.410 -0.259 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.328 1.100 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.802 1.480 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.573 -0.236 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.690 0.766 -7.193 1.00 0.00 H new ATOM 383 N MET A 27 0.834 2.755 -8.907 1.00 0.00 N ATOM 384 CA MET A 27 1.122 4.068 -9.470 1.00 0.00 C ATOM 385 C MET A 27 -0.130 4.681 -10.090 1.00 0.00 C ATOM 386 O MET A 27 -0.314 5.898 -10.062 1.00 0.00 O ATOM 387 CB MET A 27 2.227 3.964 -10.524 1.00 0.00 C ATOM 388 CG MET A 27 1.705 3.709 -11.928 1.00 0.00 C ATOM 389 SD MET A 27 3.012 3.254 -13.084 1.00 0.00 S ATOM 390 CE MET A 27 3.120 4.741 -14.076 1.00 0.00 C ATOM 0 H MET A 27 1.486 2.023 -9.187 1.00 0.00 H new ATOM 0 HA MET A 27 1.460 4.715 -8.661 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.807 4.887 -10.523 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.908 3.159 -10.247 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.961 2.913 -11.896 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.199 4.604 -12.291 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.888 4.615 -14.839 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.160 4.929 -14.556 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.378 5.586 -13.438 1.00 0.00 H new ATOM 400 N GLU A 28 -0.986 3.831 -10.646 1.00 0.00 N ATOM 401 CA GLU A 28 -2.220 4.290 -11.273 1.00 0.00 C ATOM 402 C GLU A 28 -3.266 4.644 -10.219 1.00 0.00 C ATOM 403 O GLU A 28 -4.137 5.482 -10.450 1.00 0.00 O ATOM 404 CB GLU A 28 -2.771 3.218 -12.216 1.00 0.00 C ATOM 405 CG GLU A 28 -1.920 3.002 -13.455 1.00 0.00 C ATOM 406 CD GLU A 28 -2.079 4.115 -14.473 1.00 0.00 C ATOM 407 OE1 GLU A 28 -1.432 5.169 -14.307 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.851 3.929 -15.437 1.00 0.00 O ATOM 0 H GLU A 28 -0.848 2.821 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.992 5.186 -11.850 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.853 2.276 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.779 3.499 -12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.872 2.928 -13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.190 2.052 -13.916 1.00 0.00 H new ATOM 415 N ASN A 29 -3.175 3.996 -9.063 1.00 0.00 N ATOM 416 CA ASN A 29 -4.114 4.240 -7.974 1.00 0.00 C ATOM 417 C ASN A 29 -3.428 4.956 -6.815 1.00 0.00 C ATOM 418 O ASN A 29 -3.919 4.944 -5.686 1.00 0.00 O ATOM 419 CB ASN A 29 -4.717 2.921 -7.487 1.00 0.00 C ATOM 420 CG ASN A 29 -5.768 2.381 -8.436 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.880 2.905 -8.513 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.422 1.326 -9.165 1.00 0.00 N ATOM 0 H ASN A 29 -2.461 3.298 -8.856 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.912 4.879 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.923 2.183 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.162 3.069 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.089 0.918 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.490 0.924 -9.069 1.00 0.00 H new ATOM 429 N ASN A 30 -2.290 5.580 -7.102 1.00 0.00 N ATOM 430 CA ASN A 30 -1.537 6.303 -6.083 1.00 0.00 C ATOM 431 C ASN A 30 -1.430 5.483 -4.802 1.00 0.00 C ATOM 432 O ASN A 30 -1.590 6.011 -3.700 1.00 0.00 O ATOM 433 CB ASN A 30 -2.200 7.649 -5.788 1.00 0.00 C ATOM 434 CG ASN A 30 -1.209 8.687 -5.298 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.505 8.472 -4.311 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.151 9.821 -5.987 1.00 0.00 N ATOM 0 H ASN A 30 -1.869 5.600 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.531 6.478 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.689 8.015 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.978 7.511 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.504 10.557 -5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.754 9.956 -6.799 1.00 0.00 H new ATOM 443 N ILE A 31 -1.158 4.191 -4.953 1.00 0.00 N ATOM 444 CA ILE A 31 -1.028 3.299 -3.807 1.00 0.00 C ATOM 445 C ILE A 31 0.434 3.112 -3.420 1.00 0.00 C ATOM 446 O ILE A 31 1.312 3.033 -4.279 1.00 0.00 O ATOM 447 CB ILE A 31 -1.652 1.920 -4.094 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.136 2.067 -4.435 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.466 0.996 -2.901 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.792 0.769 -4.850 1.00 0.00 C ATOM 0 H ILE A 31 -1.023 3.739 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.563 3.766 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.144 1.480 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.661 2.470 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.245 2.794 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.912 0.026 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.402 0.869 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.950 1.430 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.843 0.949 -5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.292 0.375 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.715 0.046 -4.038 1.00 0.00 H new ATOM 462 N LYS A 32 0.690 3.041 -2.117 1.00 0.00 N ATOM 463 CA LYS A 32 2.046 2.859 -1.612 1.00 0.00 C ATOM 464 C LYS A 32 2.374 1.378 -1.451 1.00 0.00 C ATOM 465 O LYS A 32 2.011 0.757 -0.451 1.00 0.00 O ATOM 466 CB LYS A 32 2.213 3.579 -0.272 1.00 0.00 C ATOM 467 CG LYS A 32 2.117 5.090 -0.376 1.00 0.00 C ATOM 468 CD LYS A 32 0.672 5.561 -0.334 1.00 0.00 C ATOM 469 CE LYS A 32 0.549 7.021 -0.741 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.861 7.400 -1.032 1.00 0.00 N ATOM 0 H LYS A 32 -0.024 3.107 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 32 2.738 3.288 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.450 3.222 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.180 3.314 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.674 5.548 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.582 5.422 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.068 4.945 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.274 5.428 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.938 7.654 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.164 7.205 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.931 8.434 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.164 6.953 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.474 7.078 -0.256 1.00 0.00 H new ATOM 484 N LEU A 33 3.062 0.819 -2.440 1.00 0.00 N ATOM 485 CA LEU A 33 3.441 -0.590 -2.408 1.00 0.00 C ATOM 486 C LEU A 33 3.894 -1.000 -1.010 1.00 0.00 C ATOM 487 O LEU A 33 3.348 -1.931 -0.418 1.00 0.00 O ATOM 488 CB LEU A 33 4.555 -0.862 -3.419 1.00 0.00 C ATOM 489 CG LEU A 33 4.105 -1.289 -4.816 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.308 -1.539 -5.711 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.228 -2.529 -4.738 1.00 0.00 C ATOM 0 H LEU A 33 3.369 1.319 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 33 2.566 -1.183 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.160 0.040 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.203 -1.639 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 33 3.517 -0.480 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.968 -1.842 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.896 -0.625 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.923 -2.329 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.917 -2.818 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.790 -3.344 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.347 -2.314 -4.133 1.00 0.00 H new ATOM 503 N SER A 34 4.894 -0.296 -0.488 1.00 0.00 N ATOM 504 CA SER A 34 5.422 -0.588 0.839 1.00 0.00 C ATOM 505 C SER A 34 4.292 -0.727 1.855 1.00 0.00 C ATOM 506 O SER A 34 4.384 -1.513 2.797 1.00 0.00 O ATOM 507 CB SER A 34 6.386 0.515 1.281 1.00 0.00 C ATOM 508 OG SER A 34 6.933 0.233 2.558 1.00 0.00 O ATOM 0 H SER A 34 5.354 0.480 -0.964 1.00 0.00 H new ATOM 0 HA SER A 34 5.961 -1.534 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.190 0.614 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.862 1.470 1.309 1.00 0.00 H new ATOM 0 HG SER A 34 7.547 0.952 2.817 1.00 0.00 H new ATOM 514 N GLU A 35 3.226 0.043 1.655 1.00 0.00 N ATOM 515 CA GLU A 35 2.078 0.006 2.554 1.00 0.00 C ATOM 516 C GLU A 35 1.236 -1.244 2.310 1.00 0.00 C ATOM 517 O GLU A 35 0.598 -1.765 3.224 1.00 0.00 O ATOM 518 CB GLU A 35 1.219 1.257 2.371 1.00 0.00 C ATOM 519 CG GLU A 35 1.958 2.553 2.665 1.00 0.00 C ATOM 520 CD GLU A 35 2.495 2.609 4.082 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.695 2.443 5.026 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.715 2.819 4.245 1.00 0.00 O ATOM 0 H GLU A 35 3.134 0.699 0.879 1.00 0.00 H new ATOM 0 HA GLU A 35 2.451 -0.023 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.847 1.285 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.349 1.189 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.784 2.663 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.286 3.395 2.501 1.00 0.00 H new ATOM 529 N VAL A 36 1.239 -1.718 1.068 1.00 0.00 N ATOM 530 CA VAL A 36 0.476 -2.905 0.702 1.00 0.00 C ATOM 531 C VAL A 36 1.133 -4.169 1.245 1.00 0.00 C ATOM 532 O VAL A 36 2.072 -4.700 0.649 1.00 0.00 O ATOM 533 CB VAL A 36 0.332 -3.031 -0.827 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.683 -4.107 -1.181 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.062 -1.694 -1.435 1.00 0.00 C ATOM 0 H VAL A 36 1.761 -1.298 0.299 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.514 -2.794 1.145 1.00 0.00 H new ATOM 0 HB VAL A 36 1.296 -3.324 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.771 -4.181 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.354 -5.064 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.652 -3.847 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.160 -1.800 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.014 -1.370 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.705 -0.952 -1.211 1.00 0.00 H new ATOM 545 N VAL A 37 0.634 -4.648 2.380 1.00 0.00 N ATOM 546 CA VAL A 37 1.171 -5.852 3.004 1.00 0.00 C ATOM 547 C VAL A 37 1.006 -7.064 2.092 1.00 0.00 C ATOM 548 O VAL A 37 -0.074 -7.646 2.007 1.00 0.00 O ATOM 549 CB VAL A 37 0.484 -6.141 4.352 1.00 0.00 C ATOM 550 CG1 VAL A 37 -1.025 -6.226 4.175 1.00 0.00 C ATOM 551 CG2 VAL A 37 1.031 -7.419 4.966 1.00 0.00 C ATOM 0 H VAL A 37 -0.141 -4.221 2.886 1.00 0.00 H new ATOM 0 HA VAL A 37 2.232 -5.672 3.177 1.00 0.00 H new ATOM 0 HB VAL A 37 0.699 -5.318 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.493 -6.431 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.399 -5.280 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.265 -7.028 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.534 -7.607 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.849 -8.254 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.103 -7.313 5.131 1.00 0.00 H new ATOM 561 N GLY A 38 2.086 -7.438 1.413 1.00 0.00 N ATOM 562 CA GLY A 38 2.040 -8.579 0.517 1.00 0.00 C ATOM 563 C GLY A 38 1.906 -9.894 1.259 1.00 0.00 C ATOM 564 O GLY A 38 2.013 -9.937 2.484 1.00 0.00 O ATOM 0 H GLY A 38 2.992 -6.972 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.200 -8.465 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.946 -8.598 -0.089 1.00 0.00 H new ATOM 627 N ARG A 44 6.373 -10.946 -1.374 1.00 0.00 N ATOM 628 CA ARG A 44 5.871 -10.832 -2.737 1.00 0.00 C ATOM 629 C ARG A 44 4.415 -10.375 -2.745 1.00 0.00 C ATOM 630 O ARG A 44 3.522 -11.110 -2.322 1.00 0.00 O ATOM 631 CB ARG A 44 6.000 -12.172 -3.465 1.00 0.00 C ATOM 632 CG ARG A 44 5.521 -12.130 -4.907 1.00 0.00 C ATOM 633 CD ARG A 44 5.724 -13.469 -5.600 1.00 0.00 C ATOM 634 NE ARG A 44 4.665 -14.420 -5.274 1.00 0.00 N ATOM 635 CZ ARG A 44 4.666 -15.686 -5.674 1.00 0.00 C ATOM 636 NH1 ARG A 44 5.665 -16.151 -6.411 1.00 0.00 N ATOM 637 NH2 ARG A 44 3.665 -16.491 -5.337 1.00 0.00 N ATOM 0 HA ARG A 44 6.471 -10.085 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.043 -12.487 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.430 -12.927 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.465 -11.862 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.061 -11.353 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.756 -13.318 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.688 -13.886 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 44 3.882 -14.094 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.435 -15.536 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.663 -17.124 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.894 -16.137 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.667 -17.463 -5.645 1.00 0.00 H new ATOM 651 N ILE A 45 4.184 -9.160 -3.228 1.00 0.00 N ATOM 652 CA ILE A 45 2.836 -8.606 -3.290 1.00 0.00 C ATOM 653 C ILE A 45 2.099 -9.094 -4.532 1.00 0.00 C ATOM 654 O ILE A 45 2.594 -8.966 -5.653 1.00 0.00 O ATOM 655 CB ILE A 45 2.860 -7.066 -3.292 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.611 -6.544 -2.065 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.443 -6.515 -3.328 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.061 -5.106 -2.199 1.00 0.00 C ATOM 0 H ILE A 45 4.912 -8.540 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 45 2.311 -8.951 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 45 3.384 -6.726 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.968 -6.635 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.483 -7.174 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.476 -5.426 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.940 -6.864 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.896 -6.861 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.586 -4.803 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.730 -5.012 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.192 -4.465 -2.346 1.00 0.00 H new ATOM 670 N LEU A 46 0.911 -9.652 -4.326 1.00 0.00 N ATOM 671 CA LEU A 46 0.103 -10.158 -5.430 1.00 0.00 C ATOM 672 C LEU A 46 -0.978 -9.154 -5.819 1.00 0.00 C ATOM 673 O LEU A 46 -1.529 -8.458 -4.967 1.00 0.00 O ATOM 674 CB LEU A 46 -0.539 -11.493 -5.049 1.00 0.00 C ATOM 675 CG LEU A 46 0.320 -12.434 -4.202 1.00 0.00 C ATOM 676 CD1 LEU A 46 1.716 -12.557 -4.793 1.00 0.00 C ATOM 677 CD2 LEU A 46 0.389 -11.943 -2.763 1.00 0.00 C ATOM 0 H LEU A 46 0.486 -9.765 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 46 0.759 -10.309 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.461 -11.288 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.818 -12.014 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.143 -13.421 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.313 -13.230 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.649 -12.955 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.188 -11.575 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.004 -12.624 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.828 -10.946 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.616 -11.907 -2.342 1.00 0.00 H new ATOM 689 N LYS A 47 -1.277 -9.086 -7.112 1.00 0.00 N ATOM 690 CA LYS A 47 -2.293 -8.169 -7.614 1.00 0.00 C ATOM 691 C LYS A 47 -3.443 -8.034 -6.620 1.00 0.00 C ATOM 692 O LYS A 47 -3.978 -6.943 -6.423 1.00 0.00 O ATOM 693 CB LYS A 47 -2.828 -8.658 -8.964 1.00 0.00 C ATOM 694 CG LYS A 47 -3.930 -7.782 -9.534 1.00 0.00 C ATOM 695 CD LYS A 47 -4.414 -8.301 -10.878 1.00 0.00 C ATOM 696 CE LYS A 47 -5.397 -7.338 -11.525 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.877 -7.838 -12.843 1.00 0.00 N ATOM 0 H LYS A 47 -0.830 -9.655 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.831 -7.190 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.005 -8.702 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.206 -9.674 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.765 -7.745 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.564 -6.762 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.561 -8.451 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.889 -9.273 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.249 -7.188 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.921 -6.367 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.545 -7.154 -13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.067 -7.957 -13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.354 -8.753 -12.714 1.00 0.00 H new ATOM 711 N GLU A 48 -3.815 -9.147 -5.997 1.00 0.00 N ATOM 712 CA GLU A 48 -4.901 -9.150 -5.023 1.00 0.00 C ATOM 713 C GLU A 48 -4.666 -8.097 -3.943 1.00 0.00 C ATOM 714 O GLU A 48 -5.525 -7.253 -3.689 1.00 0.00 O ATOM 715 CB GLU A 48 -5.036 -10.533 -4.381 1.00 0.00 C ATOM 716 CG GLU A 48 -4.987 -11.676 -5.381 1.00 0.00 C ATOM 717 CD GLU A 48 -5.947 -11.478 -6.539 1.00 0.00 C ATOM 718 OE1 GLU A 48 -5.562 -10.812 -7.522 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.083 -11.991 -6.462 1.00 0.00 O ATOM 0 H GLU A 48 -3.381 -10.058 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.826 -8.908 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.237 -10.665 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.978 -10.580 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.972 -11.773 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.225 -12.610 -4.872 1.00 0.00 H new ATOM 726 N ASP A 49 -3.498 -8.155 -3.313 1.00 0.00 N ATOM 727 CA ASP A 49 -3.149 -7.206 -2.262 1.00 0.00 C ATOM 728 C ASP A 49 -3.575 -5.791 -2.642 1.00 0.00 C ATOM 729 O ASP A 49 -4.175 -5.076 -1.839 1.00 0.00 O ATOM 730 CB ASP A 49 -1.645 -7.243 -1.991 1.00 0.00 C ATOM 731 CG ASP A 49 -1.304 -6.876 -0.560 1.00 0.00 C ATOM 732 OD1 ASP A 49 -2.220 -6.893 0.290 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.124 -6.573 -0.290 1.00 0.00 O ATOM 0 H ASP A 49 -2.777 -8.849 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.681 -7.495 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.265 -8.241 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.140 -6.555 -2.669 1.00 0.00 H new ATOM 738 N ILE A 50 -3.261 -5.395 -3.872 1.00 0.00 N ATOM 739 CA ILE A 50 -3.612 -4.066 -4.357 1.00 0.00 C ATOM 740 C ILE A 50 -5.100 -3.789 -4.172 1.00 0.00 C ATOM 741 O ILE A 50 -5.488 -2.727 -3.683 1.00 0.00 O ATOM 742 CB ILE A 50 -3.251 -3.898 -5.845 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.766 -4.195 -6.069 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.593 -2.493 -6.317 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.848 -3.110 -5.550 1.00 0.00 C ATOM 0 H ILE A 50 -2.765 -5.975 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.036 -3.352 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.836 -4.609 -6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.514 -5.137 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.588 -4.331 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.332 -2.389 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.661 -2.316 -6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.031 -1.766 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.188 -3.387 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.072 -2.171 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.998 -2.989 -4.477 1.00 0.00 H new ATOM 757 N LEU A 51 -5.929 -4.749 -4.565 1.00 0.00 N ATOM 758 CA LEU A 51 -7.375 -4.609 -4.441 1.00 0.00 C ATOM 759 C LEU A 51 -7.792 -4.536 -2.975 1.00 0.00 C ATOM 760 O LEU A 51 -8.892 -4.088 -2.654 1.00 0.00 O ATOM 761 CB LEU A 51 -8.081 -5.781 -5.126 1.00 0.00 C ATOM 762 CG LEU A 51 -8.042 -5.788 -6.654 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.415 -7.161 -7.191 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.971 -4.723 -7.217 1.00 0.00 C ATOM 0 H LEU A 51 -5.624 -5.633 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.668 -3.680 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.634 -6.708 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.124 -5.786 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.025 -5.559 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.382 -7.147 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.709 -7.902 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.422 -7.419 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.930 -4.743 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.992 -4.920 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.658 -3.742 -6.860 1.00 0.00 H new ATOM 776 N ASN A 52 -6.904 -4.978 -2.091 1.00 0.00 N ATOM 777 CA ASN A 52 -7.179 -4.961 -0.658 1.00 0.00 C ATOM 778 C ASN A 52 -6.724 -3.645 -0.033 1.00 0.00 C ATOM 779 O ASN A 52 -7.144 -3.292 1.070 1.00 0.00 O ATOM 780 CB ASN A 52 -6.479 -6.135 0.030 1.00 0.00 C ATOM 781 CG ASN A 52 -7.130 -7.465 -0.293 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.232 -7.514 -0.838 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.448 -8.554 0.045 1.00 0.00 N ATOM 0 H ASN A 52 -5.989 -5.352 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.256 -5.056 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.433 -6.161 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.491 -5.980 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.835 -9.478 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.537 -8.466 0.495 1.00 0.00 H new ATOM 790 N TYR A 53 -5.865 -2.924 -0.745 1.00 0.00 N ATOM 791 CA TYR A 53 -5.353 -1.649 -0.259 1.00 0.00 C ATOM 792 C TYR A 53 -6.290 -0.505 -0.637 1.00 0.00 C ATOM 793 O TYR A 53 -6.309 0.539 0.016 1.00 0.00 O ATOM 794 CB TYR A 53 -3.957 -1.387 -0.827 1.00 0.00 C ATOM 795 CG TYR A 53 -3.449 0.014 -0.565 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.005 1.108 -1.216 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.413 0.241 0.332 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.543 2.388 -0.981 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.946 1.519 0.575 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.515 2.589 -0.085 1.00 0.00 C ATOM 801 OH TYR A 53 -2.052 3.863 0.154 1.00 0.00 O ATOM 0 H TYR A 53 -5.509 -3.201 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.293 -1.701 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.258 -2.104 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.973 -1.564 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.812 0.955 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.965 -0.595 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.985 3.228 -1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.141 1.679 1.277 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.327 3.829 0.812 1.00 0.00 H new ATOM 811 N LEU A 54 -7.066 -0.711 -1.695 1.00 0.00 N ATOM 812 CA LEU A 54 -8.008 0.301 -2.161 1.00 0.00 C ATOM 813 C LEU A 54 -9.324 0.214 -1.396 1.00 0.00 C ATOM 814 O LEU A 54 -9.886 1.232 -0.993 1.00 0.00 O ATOM 815 CB LEU A 54 -8.264 0.136 -3.660 1.00 0.00 C ATOM 816 CG LEU A 54 -7.065 0.379 -4.578 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.174 -0.469 -5.835 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.959 1.855 -4.935 1.00 0.00 C ATOM 0 H LEU A 54 -7.062 -1.569 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.568 1.282 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.632 -0.875 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.062 0.820 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.159 0.088 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.312 -0.282 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.201 -1.524 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.087 -0.210 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.101 2.011 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.867 2.172 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.833 2.441 -4.025 1.00 0.00 H new ATOM 830 N GLU A 55 -9.808 -1.008 -1.199 1.00 0.00 N ATOM 831 CA GLU A 55 -11.058 -1.226 -0.480 1.00 0.00 C ATOM 832 C GLU A 55 -11.116 -0.370 0.783 1.00 0.00 C ATOM 833 O GLU A 55 -12.195 0.000 1.247 1.00 0.00 O ATOM 834 CB GLU A 55 -11.211 -2.704 -0.115 1.00 0.00 C ATOM 835 CG GLU A 55 -9.983 -3.295 0.559 1.00 0.00 C ATOM 836 CD GLU A 55 -10.031 -3.169 2.070 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.858 -2.381 2.575 1.00 0.00 O ATOM 838 OE2 GLU A 55 -9.242 -3.860 2.747 1.00 0.00 O ATOM 0 H GLU A 55 -9.355 -1.861 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.879 -0.934 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.069 -2.819 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.428 -3.272 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.895 -4.347 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.091 -2.794 0.184 1.00 0.00 H new