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 Single : A 19 THR OG1 : rot -170:sc= -0.828 USER MOD Single : A 27 MET CE :methyl -154:sc= -0.532 (180deg=-1.39) USER MOD Single : A 29 ASN : amide:sc= 0.67 K(o=0.67,f=-0.01) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.02 K(o=-0.02,f=-1.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.404 -6.066 -3.699 1.00 0.00 N ATOM 224 CA LEU A 17 9.311 -7.373 -4.342 1.00 0.00 C ATOM 225 C LEU A 17 7.898 -7.628 -4.858 1.00 0.00 C ATOM 226 O LEU A 17 6.996 -7.956 -4.088 1.00 0.00 O ATOM 227 CB LEU A 17 9.715 -8.476 -3.361 1.00 0.00 C ATOM 228 CG LEU A 17 10.277 -9.754 -3.983 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.252 -10.427 -3.029 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.151 -10.706 -4.357 1.00 0.00 C ATOM 0 HA LEU A 17 9.995 -7.382 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.460 -8.071 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.843 -8.740 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 17 10.815 -9.486 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.642 -11.335 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.076 -9.747 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.737 -10.681 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.570 -11.610 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.584 -10.968 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.491 -10.223 -5.077 1.00 0.00 H new ATOM 242 N ALA A 18 7.715 -7.476 -6.165 1.00 0.00 N ATOM 243 CA ALA A 18 6.413 -7.694 -6.784 1.00 0.00 C ATOM 244 C ALA A 18 6.506 -7.603 -8.303 1.00 0.00 C ATOM 245 O ALA A 18 7.399 -6.950 -8.844 1.00 0.00 O ATOM 246 CB ALA A 18 5.402 -6.689 -6.255 1.00 0.00 C ATOM 0 H ALA A 18 8.451 -7.203 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 18 6.079 -8.699 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.435 -6.864 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.306 -6.803 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.740 -5.678 -6.484 1.00 0.00 H new ATOM 252 N THR A 19 5.578 -8.264 -8.989 1.00 0.00 N ATOM 253 CA THR A 19 5.556 -8.260 -10.446 1.00 0.00 C ATOM 254 C THR A 19 5.429 -6.842 -10.990 1.00 0.00 C ATOM 255 O THR A 19 5.012 -5.918 -10.291 1.00 0.00 O ATOM 256 CB THR A 19 4.397 -9.113 -10.994 1.00 0.00 C ATOM 257 OG1 THR A 19 3.303 -9.103 -10.070 1.00 0.00 O ATOM 258 CG2 THR A 19 4.847 -10.546 -11.239 1.00 0.00 C ATOM 0 H THR A 19 4.831 -8.809 -8.558 1.00 0.00 H new ATOM 0 HA THR A 19 6.501 -8.690 -10.777 1.00 0.00 H new ATOM 0 HB THR A 19 4.076 -8.683 -11.943 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.637 -9.767 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.011 -11.129 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.661 -10.553 -11.964 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.192 -10.984 -10.303 1.00 0.00 H new ATOM 266 N PRO A 20 5.797 -6.661 -12.267 1.00 0.00 N ATOM 267 CA PRO A 20 5.730 -5.357 -12.934 1.00 0.00 C ATOM 268 C PRO A 20 4.296 -4.904 -13.179 1.00 0.00 C ATOM 269 O PRO A 20 3.961 -3.737 -12.978 1.00 0.00 O ATOM 270 CB PRO A 20 6.450 -5.602 -14.263 1.00 0.00 C ATOM 271 CG PRO A 20 6.297 -7.062 -14.513 1.00 0.00 C ATOM 272 CD PRO A 20 6.303 -7.717 -13.159 1.00 0.00 C ATOM 0 HA PRO A 20 6.177 -4.567 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.008 -5.014 -15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.501 -5.319 -14.202 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.368 -7.272 -15.044 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.111 -7.439 -15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.665 -8.601 -13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.304 -8.039 -12.873 1.00 0.00 H new ATOM 280 N ALA A 21 3.453 -5.834 -13.616 1.00 0.00 N ATOM 281 CA ALA A 21 2.053 -5.530 -13.887 1.00 0.00 C ATOM 282 C ALA A 21 1.340 -5.053 -12.625 1.00 0.00 C ATOM 283 O ALA A 21 0.432 -4.225 -12.688 1.00 0.00 O ATOM 284 CB ALA A 21 1.350 -6.749 -14.464 1.00 0.00 C ATOM 0 H ALA A 21 3.715 -6.804 -13.790 1.00 0.00 H new ATOM 0 HA ALA A 21 2.017 -4.724 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.306 -6.507 -14.661 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.836 -7.043 -15.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.403 -7.571 -13.751 1.00 0.00 H new ATOM 290 N VAL A 22 1.759 -5.582 -11.480 1.00 0.00 N ATOM 291 CA VAL A 22 1.160 -5.211 -10.203 1.00 0.00 C ATOM 292 C VAL A 22 1.699 -3.872 -9.712 1.00 0.00 C ATOM 293 O VAL A 22 0.954 -3.051 -9.177 1.00 0.00 O ATOM 294 CB VAL A 22 1.423 -6.282 -9.128 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.825 -5.858 -7.794 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.863 -7.627 -9.568 1.00 0.00 C ATOM 0 H VAL A 22 2.510 -6.268 -11.410 1.00 0.00 H new ATOM 0 HA VAL A 22 0.086 -5.129 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 22 2.500 -6.386 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.021 -6.627 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.277 -4.919 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.251 -5.724 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.058 -8.372 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.212 -7.540 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.342 -7.934 -10.498 1.00 0.00 H new ATOM 306 N ARG A 23 2.997 -3.658 -9.900 1.00 0.00 N ATOM 307 CA ARG A 23 3.636 -2.418 -9.475 1.00 0.00 C ATOM 308 C ARG A 23 2.899 -1.206 -10.040 1.00 0.00 C ATOM 309 O ARG A 23 2.728 -0.198 -9.355 1.00 0.00 O ATOM 310 CB ARG A 23 5.098 -2.394 -9.924 1.00 0.00 C ATOM 311 CG ARG A 23 6.015 -3.244 -9.059 1.00 0.00 C ATOM 312 CD ARG A 23 7.392 -3.394 -9.686 1.00 0.00 C ATOM 313 NE ARG A 23 8.239 -2.232 -9.431 1.00 0.00 N ATOM 314 CZ ARG A 23 9.565 -2.260 -9.501 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.192 -3.384 -9.818 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.267 -1.161 -9.256 1.00 0.00 N ATOM 0 H ARG A 23 3.627 -4.327 -10.344 1.00 0.00 H new ATOM 0 HA ARG A 23 3.596 -2.371 -8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.158 -2.743 -10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.455 -1.364 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.111 -2.790 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.571 -4.229 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.875 -4.288 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.287 -3.537 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 23 7.788 -1.351 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.656 -4.231 -10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.210 -3.402 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.788 -0.294 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.285 -1.184 -9.310 1.00 0.00 H new ATOM 330 N ARG A 24 2.468 -1.313 -11.293 1.00 0.00 N ATOM 331 CA ARG A 24 1.753 -0.227 -11.950 1.00 0.00 C ATOM 332 C ARG A 24 0.396 0.009 -11.290 1.00 0.00 C ATOM 333 O ARG A 24 0.033 1.145 -10.981 1.00 0.00 O ATOM 334 CB ARG A 24 1.562 -0.537 -13.435 1.00 0.00 C ATOM 335 CG ARG A 24 0.356 0.152 -14.052 1.00 0.00 C ATOM 336 CD ARG A 24 0.486 0.258 -15.564 1.00 0.00 C ATOM 337 NE ARG A 24 -0.814 0.378 -16.218 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.609 -0.656 -16.468 1.00 0.00 C ATOM 339 NH1 ARG A 24 -1.240 -1.880 -16.120 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.777 -0.466 -17.067 1.00 0.00 N ATOM 0 H ARG A 24 2.602 -2.141 -11.873 1.00 0.00 H new ATOM 0 HA ARG A 24 2.350 0.679 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.458 -0.237 -13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.458 -1.615 -13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.548 -0.403 -13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.247 1.149 -13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.099 1.123 -15.815 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.004 -0.622 -15.946 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.129 1.307 -16.498 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.343 -2.030 -15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.853 -2.672 -16.314 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.065 0.475 -17.336 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.387 -1.261 -17.259 1.00 0.00 H new ATOM 354 N LEU A 25 -0.348 -1.071 -11.078 1.00 0.00 N ATOM 355 CA LEU A 25 -1.664 -0.983 -10.456 1.00 0.00 C ATOM 356 C LEU A 25 -1.649 -0.005 -9.285 1.00 0.00 C ATOM 357 O LEU A 25 -2.683 0.544 -8.909 1.00 0.00 O ATOM 358 CB LEU A 25 -2.116 -2.363 -9.975 1.00 0.00 C ATOM 359 CG LEU A 25 -3.626 -2.606 -9.956 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.208 -2.457 -11.352 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.937 -3.985 -9.391 1.00 0.00 C ATOM 0 H LEU A 25 -0.062 -2.018 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.367 -0.616 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.655 -3.117 -10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.730 -2.519 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.087 -1.858 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.283 -2.633 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.017 -1.449 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.742 -3.182 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.016 -4.141 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.464 -4.747 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.554 -4.056 -8.373 1.00 0.00 H new ATOM 373 N ALA A 26 -0.467 0.210 -8.716 1.00 0.00 N ATOM 374 CA ALA A 26 -0.316 1.125 -7.591 1.00 0.00 C ATOM 375 C ALA A 26 -0.147 2.563 -8.073 1.00 0.00 C ATOM 376 O ALA A 26 -0.861 3.463 -7.630 1.00 0.00 O ATOM 377 CB ALA A 26 0.868 0.713 -6.730 1.00 0.00 C ATOM 0 H ALA A 26 0.400 -0.237 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.223 1.074 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.968 1.405 -5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.707 -0.295 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.778 0.733 -7.329 1.00 0.00 H new ATOM 383 N MET A 27 0.801 2.771 -8.980 1.00 0.00 N ATOM 384 CA MET A 27 1.062 4.099 -9.522 1.00 0.00 C ATOM 385 C MET A 27 -0.209 4.708 -10.106 1.00 0.00 C ATOM 386 O MET A 27 -0.351 5.928 -10.166 1.00 0.00 O ATOM 387 CB MET A 27 2.150 4.031 -10.595 1.00 0.00 C ATOM 388 CG MET A 27 1.642 3.553 -11.946 1.00 0.00 C ATOM 389 SD MET A 27 2.774 3.945 -13.292 1.00 0.00 S ATOM 390 CE MET A 27 3.829 2.498 -13.281 1.00 0.00 C ATOM 0 H MET A 27 1.401 2.037 -9.355 1.00 0.00 H new ATOM 0 HA MET A 27 1.406 4.735 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.595 5.019 -10.712 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.942 3.363 -10.256 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.486 2.475 -11.910 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.673 4.009 -12.147 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.805 2.757 -13.691 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.948 2.142 -12.258 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.377 1.714 -13.888 1.00 0.00 H new ATOM 400 N GLU A 28 -1.128 3.849 -10.535 1.00 0.00 N ATOM 401 CA GLU A 28 -2.385 4.304 -11.116 1.00 0.00 C ATOM 402 C GLU A 28 -3.395 4.648 -10.025 1.00 0.00 C ATOM 403 O GLU A 28 -4.154 5.608 -10.148 1.00 0.00 O ATOM 404 CB GLU A 28 -2.964 3.230 -12.041 1.00 0.00 C ATOM 405 CG GLU A 28 -1.938 2.623 -12.983 1.00 0.00 C ATOM 406 CD GLU A 28 -2.553 2.148 -14.285 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.194 1.076 -14.283 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.392 2.846 -15.308 1.00 0.00 O ATOM 0 H GLU A 28 -1.026 2.835 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.182 5.203 -11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.402 2.437 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.772 3.665 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.166 3.361 -13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.448 1.784 -12.489 1.00 0.00 H new ATOM 415 N ASN A 29 -3.398 3.856 -8.958 1.00 0.00 N ATOM 416 CA ASN A 29 -4.315 4.076 -7.845 1.00 0.00 C ATOM 417 C ASN A 29 -3.623 4.826 -6.711 1.00 0.00 C ATOM 418 O ASN A 29 -4.119 4.864 -5.586 1.00 0.00 O ATOM 419 CB ASN A 29 -4.856 2.739 -7.331 1.00 0.00 C ATOM 420 CG ASN A 29 -5.934 2.169 -8.232 1.00 0.00 C ATOM 421 OD1 ASN A 29 -7.083 2.611 -8.202 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.568 1.181 -9.041 1.00 0.00 N ATOM 0 H ASN A 29 -2.776 3.056 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.146 4.683 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.037 2.025 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.259 2.874 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.250 0.758 -9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.605 0.846 -9.033 1.00 0.00 H new ATOM 429 N ASN A 30 -2.475 5.422 -7.017 1.00 0.00 N ATOM 430 CA ASN A 30 -1.716 6.173 -6.023 1.00 0.00 C ATOM 431 C ASN A 30 -1.540 5.359 -4.744 1.00 0.00 C ATOM 432 O ASN A 30 -1.716 5.874 -3.640 1.00 0.00 O ATOM 433 CB ASN A 30 -2.417 7.496 -5.706 1.00 0.00 C ATOM 434 CG ASN A 30 -2.661 8.332 -6.948 1.00 0.00 C ATOM 435 OD1 ASN A 30 -3.678 8.179 -7.623 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.725 9.224 -7.254 1.00 0.00 N ATOM 0 H ASN A 30 -2.050 5.400 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.730 6.383 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.369 7.292 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.811 8.065 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.834 9.816 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.897 9.317 -6.665 1.00 0.00 H new ATOM 443 N ILE A 31 -1.190 4.087 -4.903 1.00 0.00 N ATOM 444 CA ILE A 31 -0.989 3.203 -3.761 1.00 0.00 C ATOM 445 C ILE A 31 0.492 3.074 -3.422 1.00 0.00 C ATOM 446 O ILE A 31 1.337 2.964 -4.310 1.00 0.00 O ATOM 447 CB ILE A 31 -1.568 1.800 -4.027 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.088 1.873 -4.181 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.189 0.850 -2.901 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.694 0.629 -4.792 1.00 0.00 C ATOM 0 H ILE A 31 -1.040 3.646 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.515 3.650 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.146 1.418 -4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.536 2.043 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.341 2.733 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.605 -0.137 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.103 0.780 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.587 1.226 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.774 0.752 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.273 0.469 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.472 -0.232 -4.161 1.00 0.00 H new ATOM 462 N LYS A 32 0.799 3.085 -2.129 1.00 0.00 N ATOM 463 CA LYS A 32 2.177 2.966 -1.668 1.00 0.00 C ATOM 464 C LYS A 32 2.578 1.501 -1.524 1.00 0.00 C ATOM 465 O LYS A 32 2.351 0.885 -0.482 1.00 0.00 O ATOM 466 CB LYS A 32 2.355 3.689 -0.331 1.00 0.00 C ATOM 467 CG LYS A 32 2.261 5.201 -0.440 1.00 0.00 C ATOM 468 CD LYS A 32 0.826 5.682 -0.311 1.00 0.00 C ATOM 469 CE LYS A 32 0.715 7.178 -0.558 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.704 7.627 -0.618 1.00 0.00 N ATOM 0 H LYS A 32 0.111 3.175 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 32 2.824 3.430 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.596 3.336 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.325 3.423 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.871 5.661 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.669 5.524 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.197 5.147 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.451 5.448 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.233 7.716 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.215 7.430 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.737 8.653 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.192 7.132 -1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.175 7.410 0.283 1.00 0.00 H new ATOM 484 N LEU A 33 3.178 0.950 -2.574 1.00 0.00 N ATOM 485 CA LEU A 33 3.612 -0.442 -2.563 1.00 0.00 C ATOM 486 C LEU A 33 4.078 -0.857 -1.172 1.00 0.00 C ATOM 487 O LEU A 33 3.544 -1.795 -0.581 1.00 0.00 O ATOM 488 CB LEU A 33 4.739 -0.653 -3.575 1.00 0.00 C ATOM 489 CG LEU A 33 4.311 -1.069 -4.982 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.526 -1.397 -5.836 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.364 -2.259 -4.920 1.00 0.00 C ATOM 0 H LEU A 33 3.375 1.446 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 33 2.761 -1.064 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.310 0.272 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.414 -1.414 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 33 3.785 -0.233 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.201 -1.691 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.168 -0.519 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.081 -2.216 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.069 -2.542 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.866 -3.099 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.478 -1.989 -4.345 1.00 0.00 H new ATOM 503 N SER A 34 5.075 -0.148 -0.651 1.00 0.00 N ATOM 504 CA SER A 34 5.613 -0.444 0.671 1.00 0.00 C ATOM 505 C SER A 34 4.491 -0.628 1.687 1.00 0.00 C ATOM 506 O SER A 34 4.541 -1.525 2.528 1.00 0.00 O ATOM 507 CB SER A 34 6.549 0.679 1.127 1.00 0.00 C ATOM 508 OG SER A 34 6.884 0.538 2.496 1.00 0.00 O ATOM 0 H SER A 34 5.526 0.635 -1.124 1.00 0.00 H new ATOM 0 HA SER A 34 6.176 -1.375 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.457 0.667 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.070 1.645 0.964 1.00 0.00 H new ATOM 0 HG SER A 34 7.484 1.266 2.763 1.00 0.00 H new ATOM 514 N GLU A 35 3.476 0.228 1.601 1.00 0.00 N ATOM 515 CA GLU A 35 2.341 0.159 2.513 1.00 0.00 C ATOM 516 C GLU A 35 1.513 -1.098 2.258 1.00 0.00 C ATOM 517 O GLU A 35 0.887 -1.637 3.170 1.00 0.00 O ATOM 518 CB GLU A 35 1.462 1.402 2.362 1.00 0.00 C ATOM 519 CG GLU A 35 2.195 2.704 2.638 1.00 0.00 C ATOM 520 CD GLU A 35 2.694 2.801 4.066 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.913 3.230 4.940 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.868 2.450 4.309 1.00 0.00 O ATOM 0 H GLU A 35 3.418 0.976 0.910 1.00 0.00 H new ATOM 0 HA GLU A 35 2.727 0.117 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.058 1.430 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.614 1.321 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.040 2.793 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.529 3.542 2.432 1.00 0.00 H new ATOM 529 N VAL A 36 1.515 -1.556 1.010 1.00 0.00 N ATOM 530 CA VAL A 36 0.765 -2.749 0.634 1.00 0.00 C ATOM 531 C VAL A 36 1.423 -4.008 1.186 1.00 0.00 C ATOM 532 O VAL A 36 2.354 -4.549 0.590 1.00 0.00 O ATOM 533 CB VAL A 36 0.644 -2.876 -0.896 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.280 -4.025 -1.266 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.153 -1.569 -1.501 1.00 0.00 C ATOM 0 H VAL A 36 2.027 -1.120 0.243 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.232 -2.645 1.063 1.00 0.00 H new ATOM 0 HB VAL A 36 1.631 -3.091 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.353 -4.099 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.119 -4.957 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.270 -3.845 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.073 -1.676 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.825 -1.321 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.858 -0.772 -1.266 1.00 0.00 H new ATOM 545 N VAL A 37 0.931 -4.473 2.330 1.00 0.00 N ATOM 546 CA VAL A 37 1.468 -5.670 2.964 1.00 0.00 C ATOM 547 C VAL A 37 1.457 -6.854 2.003 1.00 0.00 C ATOM 548 O VAL A 37 0.439 -7.526 1.842 1.00 0.00 O ATOM 549 CB VAL A 37 0.672 -6.043 4.229 1.00 0.00 C ATOM 550 CG1 VAL A 37 1.287 -7.256 4.910 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.606 -4.861 5.184 1.00 0.00 C ATOM 0 H VAL A 37 0.160 -4.038 2.837 1.00 0.00 H new ATOM 0 HA VAL A 37 2.496 -5.443 3.245 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.345 -6.300 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.711 -7.504 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.276 -8.103 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.315 -7.032 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.040 -5.142 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.616 -4.571 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.115 -4.022 4.691 1.00 0.00 H new ATOM 561 N GLY A 38 2.597 -7.102 1.365 1.00 0.00 N ATOM 562 CA GLY A 38 2.697 -8.205 0.427 1.00 0.00 C ATOM 563 C GLY A 38 2.041 -9.469 0.946 1.00 0.00 C ATOM 564 O GLY A 38 1.911 -9.658 2.156 1.00 0.00 O ATOM 0 H GLY A 38 3.453 -6.559 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.232 -7.919 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.748 -8.405 0.217 1.00 0.00 H new ATOM 627 N ARG A 44 6.155 -10.809 -1.082 1.00 0.00 N ATOM 628 CA ARG A 44 5.844 -10.410 -2.450 1.00 0.00 C ATOM 629 C ARG A 44 4.413 -9.891 -2.553 1.00 0.00 C ATOM 630 O ARG A 44 3.477 -10.522 -2.061 1.00 0.00 O ATOM 631 CB ARG A 44 6.041 -11.590 -3.405 1.00 0.00 C ATOM 632 CG ARG A 44 5.611 -11.296 -4.832 1.00 0.00 C ATOM 633 CD ARG A 44 6.187 -12.310 -5.807 1.00 0.00 C ATOM 634 NE ARG A 44 5.603 -13.636 -5.627 1.00 0.00 N ATOM 635 CZ ARG A 44 5.875 -14.673 -6.412 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.720 -14.537 -7.425 1.00 0.00 N ATOM 637 NH2 ARG A 44 5.303 -15.848 -6.184 1.00 0.00 N ATOM 0 HA ARG A 44 6.524 -9.606 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.093 -11.876 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.477 -12.445 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.523 -11.307 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.937 -10.294 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.010 -11.972 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.267 -12.369 -5.673 1.00 0.00 H new ATOM 0 HE ARG A 44 4.950 -13.774 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.162 -13.635 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.928 -15.334 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.653 -15.956 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.513 -16.643 -6.788 1.00 0.00 H new ATOM 651 N ILE A 45 4.252 -8.739 -3.195 1.00 0.00 N ATOM 652 CA ILE A 45 2.936 -8.136 -3.364 1.00 0.00 C ATOM 653 C ILE A 45 2.270 -8.619 -4.647 1.00 0.00 C ATOM 654 O ILE A 45 2.746 -8.341 -5.749 1.00 0.00 O ATOM 655 CB ILE A 45 3.020 -6.599 -3.388 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.777 -6.088 -2.161 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.626 -5.993 -3.447 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.512 -4.788 -2.403 1.00 0.00 C ATOM 0 H ILE A 45 5.017 -8.204 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 45 2.335 -8.445 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 45 3.566 -6.294 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.073 -5.951 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.492 -6.847 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.702 -4.906 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.119 -6.335 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.057 -6.304 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.026 -4.485 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.241 -4.925 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.799 -4.015 -2.691 1.00 0.00 H new ATOM 670 N LEU A 46 1.166 -9.343 -4.499 1.00 0.00 N ATOM 671 CA LEU A 46 0.432 -9.863 -5.647 1.00 0.00 C ATOM 672 C LEU A 46 -0.644 -8.880 -6.097 1.00 0.00 C ATOM 673 O LEU A 46 -0.930 -7.899 -5.411 1.00 0.00 O ATOM 674 CB LEU A 46 -0.204 -11.211 -5.302 1.00 0.00 C ATOM 675 CG LEU A 46 0.690 -12.204 -4.558 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.135 -13.358 -4.011 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.791 -12.720 -5.473 1.00 0.00 C ATOM 0 H LEU A 46 0.759 -9.583 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 46 1.138 -10.000 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.091 -11.027 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.541 -11.679 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 46 1.155 -11.687 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.518 -14.055 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.886 -12.973 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.629 -13.875 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.417 -13.425 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.345 -13.221 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.400 -11.884 -5.816 1.00 0.00 H new ATOM 689 N LYS A 47 -1.241 -9.152 -7.253 1.00 0.00 N ATOM 690 CA LYS A 47 -2.288 -8.294 -7.794 1.00 0.00 C ATOM 691 C LYS A 47 -3.449 -8.168 -6.812 1.00 0.00 C ATOM 692 O LYS A 47 -4.027 -7.093 -6.656 1.00 0.00 O ATOM 693 CB LYS A 47 -2.792 -8.850 -9.127 1.00 0.00 C ATOM 694 CG LYS A 47 -3.786 -7.940 -9.829 1.00 0.00 C ATOM 695 CD LYS A 47 -3.860 -8.236 -11.317 1.00 0.00 C ATOM 696 CE LYS A 47 -5.185 -7.783 -11.911 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.582 -8.616 -13.080 1.00 0.00 N ATOM 0 H LYS A 47 -1.017 -9.961 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.864 -7.303 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.940 -9.020 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.259 -9.819 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.773 -8.065 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.497 -6.900 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.040 -7.734 -11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.733 -9.306 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.962 -7.834 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.108 -6.740 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.490 -8.276 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.853 -8.547 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.681 -9.608 -12.782 1.00 0.00 H new ATOM 711 N GLU A 48 -3.783 -9.273 -6.153 1.00 0.00 N ATOM 712 CA GLU A 48 -4.875 -9.284 -5.186 1.00 0.00 C ATOM 713 C GLU A 48 -4.610 -8.294 -4.055 1.00 0.00 C ATOM 714 O GLU A 48 -5.519 -7.604 -3.594 1.00 0.00 O ATOM 715 CB GLU A 48 -5.064 -10.690 -4.613 1.00 0.00 C ATOM 716 CG GLU A 48 -3.776 -11.322 -4.114 1.00 0.00 C ATOM 717 CD GLU A 48 -3.995 -12.699 -3.515 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.984 -13.685 -4.279 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.179 -12.788 -2.283 1.00 0.00 O ATOM 0 H GLU A 48 -3.314 -10.171 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.787 -8.984 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.779 -10.645 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.500 -11.330 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.069 -11.398 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.323 -10.672 -3.365 1.00 0.00 H new ATOM 726 N ASP A 49 -3.359 -8.230 -3.614 1.00 0.00 N ATOM 727 CA ASP A 49 -2.972 -7.326 -2.537 1.00 0.00 C ATOM 728 C ASP A 49 -3.400 -5.895 -2.850 1.00 0.00 C ATOM 729 O ASP A 49 -3.917 -5.187 -1.985 1.00 0.00 O ATOM 730 CB ASP A 49 -1.461 -7.382 -2.312 1.00 0.00 C ATOM 731 CG ASP A 49 -1.070 -6.974 -0.905 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.933 -6.435 -0.181 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.100 -7.194 -0.528 1.00 0.00 O ATOM 0 H ASP A 49 -2.595 -8.794 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.478 -7.647 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.105 -8.394 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.965 -6.727 -3.028 1.00 0.00 H new ATOM 738 N ILE A 50 -3.180 -5.475 -4.092 1.00 0.00 N ATOM 739 CA ILE A 50 -3.542 -4.130 -4.520 1.00 0.00 C ATOM 740 C ILE A 50 -5.039 -3.887 -4.360 1.00 0.00 C ATOM 741 O ILE A 50 -5.458 -2.859 -3.824 1.00 0.00 O ATOM 742 CB ILE A 50 -3.146 -3.880 -5.987 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.654 -4.149 -6.188 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.494 -2.456 -6.393 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.764 -3.062 -5.629 1.00 0.00 C ATOM 0 H ILE A 50 -2.752 -6.048 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.994 -3.437 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.707 -4.565 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.397 -5.097 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.453 -4.260 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.208 -2.294 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.567 -2.298 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.956 -1.754 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.280 -3.319 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.993 -2.116 -6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.936 -2.966 -4.557 1.00 0.00 H new ATOM 757 N LEU A 51 -5.840 -4.838 -4.824 1.00 0.00 N ATOM 758 CA LEU A 51 -7.292 -4.730 -4.731 1.00 0.00 C ATOM 759 C LEU A 51 -7.751 -4.787 -3.277 1.00 0.00 C ATOM 760 O LEU A 51 -8.865 -4.383 -2.951 1.00 0.00 O ATOM 761 CB LEU A 51 -7.960 -5.847 -5.533 1.00 0.00 C ATOM 762 CG LEU A 51 -7.824 -5.757 -7.053 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.195 -7.081 -7.702 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.689 -4.631 -7.600 1.00 0.00 C ATOM 0 H LEU A 51 -5.509 -5.694 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.586 -3.767 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.543 -6.800 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.021 -5.861 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.784 -5.538 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.092 -6.997 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.533 -7.865 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.226 -7.331 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.580 -4.582 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.733 -4.819 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.375 -3.684 -7.160 1.00 0.00 H new ATOM 776 N ASN A 52 -6.881 -5.291 -2.407 1.00 0.00 N ATOM 777 CA ASN A 52 -7.195 -5.401 -0.988 1.00 0.00 C ATOM 778 C ASN A 52 -6.683 -4.185 -0.222 1.00 0.00 C ATOM 779 O ASN A 52 -7.125 -3.909 0.894 1.00 0.00 O ATOM 780 CB ASN A 52 -6.587 -6.678 -0.405 1.00 0.00 C ATOM 781 CG ASN A 52 -7.321 -7.926 -0.857 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.473 -7.861 -1.284 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.653 -9.070 -0.764 1.00 0.00 N ATOM 0 H ASN A 52 -5.953 -5.630 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.279 -5.444 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.541 -6.747 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.606 -6.622 0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.094 -9.943 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.699 -9.076 -0.404 1.00 0.00 H new ATOM 790 N TYR A 53 -5.750 -3.461 -0.829 1.00 0.00 N ATOM 791 CA TYR A 53 -5.175 -2.275 -0.204 1.00 0.00 C ATOM 792 C TYR A 53 -6.093 -1.069 -0.377 1.00 0.00 C ATOM 793 O TYR A 53 -6.110 -0.162 0.455 1.00 0.00 O ATOM 794 CB TYR A 53 -3.800 -1.973 -0.802 1.00 0.00 C ATOM 795 CG TYR A 53 -3.277 -0.598 -0.454 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.793 0.538 -1.066 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.268 -0.434 0.486 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.318 1.797 -0.752 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.788 0.821 0.809 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.316 1.933 0.187 1.00 0.00 C ATOM 801 OH TYR A 53 -1.839 3.184 0.504 1.00 0.00 O ATOM 0 H TYR A 53 -5.375 -3.674 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.064 -2.475 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.089 -2.722 -0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.856 -2.067 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.579 0.435 -1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.851 -1.303 0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.729 2.669 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.004 0.930 1.544 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.137 3.104 1.183 1.00 0.00 H new ATOM 811 N LEU A 54 -6.858 -1.067 -1.463 1.00 0.00 N ATOM 812 CA LEU A 54 -7.781 0.026 -1.747 1.00 0.00 C ATOM 813 C LEU A 54 -9.052 -0.103 -0.913 1.00 0.00 C ATOM 814 O LEU A 54 -9.513 0.867 -0.312 1.00 0.00 O ATOM 815 CB LEU A 54 -8.136 0.047 -3.235 1.00 0.00 C ATOM 816 CG LEU A 54 -7.022 0.494 -4.183 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.227 -0.105 -5.566 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.964 2.013 -4.261 1.00 0.00 C ATOM 0 H LEU A 54 -6.857 -1.810 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.288 0.962 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.454 -0.954 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.992 0.707 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.071 0.134 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.425 0.224 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.217 -1.193 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.186 0.224 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.166 2.312 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.916 2.395 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.769 2.421 -3.269 1.00 0.00 H new ATOM 830 N GLU A 55 -9.611 -1.309 -0.877 1.00 0.00 N ATOM 831 CA GLU A 55 -10.827 -1.564 -0.115 1.00 0.00 C ATOM 832 C GLU A 55 -10.706 -1.013 1.304 1.00 0.00 C ATOM 833 O GLU A 55 -11.701 -0.643 1.926 1.00 0.00 O ATOM 834 CB GLU A 55 -11.121 -3.065 -0.067 1.00 0.00 C ATOM 835 CG GLU A 55 -10.045 -3.873 0.639 1.00 0.00 C ATOM 836 CD GLU A 55 -10.456 -5.314 0.871 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.075 -5.909 -0.037 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.158 -5.847 1.960 1.00 0.00 O ATOM 0 H GLU A 55 -9.241 -2.124 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.651 -1.055 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.074 -3.224 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.234 -3.437 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.131 -3.851 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.815 -3.406 1.597 1.00 0.00 H new