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 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.544 K(o=0.54,f=-0.54) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc=-0.00572 (180deg=-0.121) 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= -1.35 K(o=-1.3,f=-2.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.519 -6.132 -3.686 1.00 0.00 N ATOM 224 CA LEU A 17 9.460 -7.444 -4.322 1.00 0.00 C ATOM 225 C LEU A 17 8.068 -7.711 -4.889 1.00 0.00 C ATOM 226 O LEU A 17 7.152 -8.089 -4.159 1.00 0.00 O ATOM 227 CB LEU A 17 9.833 -8.536 -3.320 1.00 0.00 C ATOM 228 CG LEU A 17 9.956 -9.953 -3.886 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.338 -10.170 -4.482 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.670 -10.984 -2.805 1.00 0.00 C ATOM 0 HA LEU A 17 10.176 -7.455 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.783 -8.267 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.084 -8.546 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 17 9.218 -10.074 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.408 -11.182 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.505 -9.452 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.094 -10.031 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.762 -11.986 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.384 -10.865 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.659 -10.841 -2.424 1.00 0.00 H new ATOM 242 N ALA A 18 7.919 -7.514 -6.194 1.00 0.00 N ATOM 243 CA ALA A 18 6.641 -7.738 -6.860 1.00 0.00 C ATOM 244 C ALA A 18 6.769 -7.559 -8.369 1.00 0.00 C ATOM 245 O ALA A 18 7.607 -6.793 -8.846 1.00 0.00 O ATOM 246 CB ALA A 18 5.583 -6.796 -6.302 1.00 0.00 C ATOM 0 H ALA A 18 8.667 -7.200 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 18 6.334 -8.766 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.634 -6.974 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.464 -6.975 -5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.893 -5.764 -6.465 1.00 0.00 H new ATOM 252 N THR A 19 5.933 -8.272 -9.117 1.00 0.00 N ATOM 253 CA THR A 19 5.954 -8.194 -10.572 1.00 0.00 C ATOM 254 C THR A 19 5.790 -6.755 -11.048 1.00 0.00 C ATOM 255 O THR A 19 5.246 -5.902 -10.346 1.00 0.00 O ATOM 256 CB THR A 19 4.843 -9.059 -11.198 1.00 0.00 C ATOM 257 OG1 THR A 19 3.626 -8.904 -10.459 1.00 0.00 O ATOM 258 CG2 THR A 19 5.248 -10.525 -11.219 1.00 0.00 C ATOM 0 H THR A 19 5.233 -8.910 -8.739 1.00 0.00 H new ATOM 0 HA THR A 19 6.924 -8.573 -10.894 1.00 0.00 H new ATOM 0 HB THR A 19 4.688 -8.727 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.925 -9.456 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.449 -11.117 -11.665 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.158 -10.643 -11.807 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.428 -10.867 -10.200 1.00 0.00 H new ATOM 266 N PRO A 20 6.269 -6.475 -12.269 1.00 0.00 N ATOM 267 CA PRO A 20 6.186 -5.139 -12.866 1.00 0.00 C ATOM 268 C PRO A 20 4.756 -4.757 -13.234 1.00 0.00 C ATOM 269 O PRO A 20 4.392 -3.582 -13.206 1.00 0.00 O ATOM 270 CB PRO A 20 7.048 -5.259 -14.126 1.00 0.00 C ATOM 271 CG PRO A 20 7.015 -6.708 -14.471 1.00 0.00 C ATOM 272 CD PRO A 20 6.930 -7.443 -13.162 1.00 0.00 C ATOM 0 HA PRO A 20 6.520 -4.363 -12.177 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.650 -4.650 -14.937 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.067 -4.919 -13.942 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.159 -6.939 -15.105 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.908 -6.998 -15.024 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.353 -8.363 -13.255 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.917 -7.721 -12.793 1.00 0.00 H new ATOM 280 N ALA A 21 3.951 -5.756 -13.577 1.00 0.00 N ATOM 281 CA ALA A 21 2.560 -5.524 -13.946 1.00 0.00 C ATOM 282 C ALA A 21 1.734 -5.097 -12.738 1.00 0.00 C ATOM 283 O ALA A 21 0.836 -4.263 -12.851 1.00 0.00 O ATOM 284 CB ALA A 21 1.967 -6.775 -14.579 1.00 0.00 C ATOM 0 H ALA A 21 4.238 -6.734 -13.607 1.00 0.00 H new ATOM 0 HA ALA A 21 2.534 -4.713 -14.674 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.928 -6.588 -14.850 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.534 -7.034 -15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.014 -7.600 -13.868 1.00 0.00 H new ATOM 290 N VAL A 22 2.043 -5.676 -11.581 1.00 0.00 N ATOM 291 CA VAL A 22 1.330 -5.354 -10.351 1.00 0.00 C ATOM 292 C VAL A 22 1.767 -4.002 -9.800 1.00 0.00 C ATOM 293 O VAL A 22 0.946 -3.222 -9.318 1.00 0.00 O ATOM 294 CB VAL A 22 1.554 -6.433 -9.274 1.00 0.00 C ATOM 295 CG1 VAL A 22 1.172 -5.903 -7.901 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.765 -7.690 -9.609 1.00 0.00 C ATOM 0 H VAL A 22 2.782 -6.370 -11.471 1.00 0.00 H new ATOM 0 HA VAL A 22 0.270 -5.315 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 22 2.613 -6.691 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.337 -6.678 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.785 -5.033 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.120 -5.617 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.934 -8.442 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.297 -7.451 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.092 -8.079 -10.573 1.00 0.00 H new ATOM 306 N ARG A 23 3.066 -3.731 -9.874 1.00 0.00 N ATOM 307 CA ARG A 23 3.614 -2.473 -9.381 1.00 0.00 C ATOM 308 C ARG A 23 2.872 -1.284 -9.985 1.00 0.00 C ATOM 309 O ARG A 23 2.676 -0.262 -9.327 1.00 0.00 O ATOM 310 CB ARG A 23 5.105 -2.377 -9.709 1.00 0.00 C ATOM 311 CG ARG A 23 5.976 -3.275 -8.846 1.00 0.00 C ATOM 312 CD ARG A 23 7.421 -3.269 -9.318 1.00 0.00 C ATOM 313 NE ARG A 23 8.004 -1.930 -9.282 1.00 0.00 N ATOM 314 CZ ARG A 23 9.297 -1.685 -9.462 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.138 -2.684 -9.689 1.00 0.00 N ATOM 316 NH2 ARG A 23 9.751 -0.440 -9.415 1.00 0.00 N ATOM 0 H ARG A 23 3.759 -4.366 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 23 3.485 -2.449 -8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.256 -2.637 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.430 -1.344 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.929 -2.942 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.588 -4.293 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.010 -3.938 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.472 -3.659 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 23 7.384 -1.139 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.793 -3.643 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.131 -2.494 -9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.107 0.331 -9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.744 -0.254 -9.553 1.00 0.00 H new ATOM 330 N ARG A 24 2.463 -1.425 -11.242 1.00 0.00 N ATOM 331 CA ARG A 24 1.745 -0.361 -11.935 1.00 0.00 C ATOM 332 C ARG A 24 0.363 -0.150 -11.324 1.00 0.00 C ATOM 333 O ARG A 24 -0.020 0.976 -11.002 1.00 0.00 O ATOM 334 CB ARG A 24 1.611 -0.694 -13.422 1.00 0.00 C ATOM 335 CG ARG A 24 0.430 -0.012 -14.094 1.00 0.00 C ATOM 336 CD ARG A 24 0.492 -0.154 -15.607 1.00 0.00 C ATOM 337 NE ARG A 24 -0.762 0.236 -16.246 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.114 -0.146 -17.469 1.00 0.00 C ATOM 339 NH1 ARG A 24 -0.309 -0.922 -18.182 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.271 0.251 -17.981 1.00 0.00 N ATOM 0 H ARG A 24 2.616 -2.264 -11.801 1.00 0.00 H new ATOM 0 HA ARG A 24 2.316 0.561 -11.825 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.528 -0.403 -13.935 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.510 -1.773 -13.537 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.500 -0.445 -13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.418 1.045 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.303 0.461 -15.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.724 -1.187 -15.865 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.403 0.834 -15.725 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.583 -1.227 -17.792 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.582 -1.214 -19.121 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.891 0.850 -17.436 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.541 -0.042 -18.920 1.00 0.00 H new ATOM 354 N LEU A 25 -0.381 -1.239 -11.165 1.00 0.00 N ATOM 355 CA LEU A 25 -1.721 -1.173 -10.593 1.00 0.00 C ATOM 356 C LEU A 25 -1.774 -0.171 -9.445 1.00 0.00 C ATOM 357 O LEU A 25 -2.830 0.383 -9.140 1.00 0.00 O ATOM 358 CB LEU A 25 -2.154 -2.555 -10.099 1.00 0.00 C ATOM 359 CG LEU A 25 -3.660 -2.814 -10.066 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.270 -2.596 -11.443 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.948 -4.224 -9.572 1.00 0.00 C ATOM 0 H LEU A 25 -0.079 -2.178 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.407 -0.841 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.690 -3.308 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.759 -2.700 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.115 -2.107 -9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.343 -2.785 -11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.095 -1.568 -11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.810 -3.279 -12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.025 -4.391 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.479 -4.946 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.546 -4.346 -8.566 1.00 0.00 H new ATOM 373 N ALA A 26 -0.628 0.059 -8.813 1.00 0.00 N ATOM 374 CA ALA A 26 -0.542 0.999 -7.701 1.00 0.00 C ATOM 375 C ALA A 26 -0.423 2.433 -8.203 1.00 0.00 C ATOM 376 O ALA A 26 -1.167 3.314 -7.775 1.00 0.00 O ATOM 377 CB ALA A 26 0.636 0.650 -6.806 1.00 0.00 C ATOM 0 H ALA A 26 0.255 -0.393 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.461 0.922 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.688 1.360 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.507 -0.358 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.559 0.697 -7.384 1.00 0.00 H new ATOM 383 N MET A 27 0.518 2.660 -9.114 1.00 0.00 N ATOM 384 CA MET A 27 0.735 3.989 -9.674 1.00 0.00 C ATOM 385 C MET A 27 -0.572 4.578 -10.195 1.00 0.00 C ATOM 386 O MET A 27 -0.745 5.797 -10.223 1.00 0.00 O ATOM 387 CB MET A 27 1.766 3.928 -10.803 1.00 0.00 C ATOM 388 CG MET A 27 1.217 3.350 -12.097 1.00 0.00 C ATOM 389 SD MET A 27 2.024 4.029 -13.559 1.00 0.00 S ATOM 390 CE MET A 27 3.455 2.960 -13.684 1.00 0.00 C ATOM 0 H MET A 27 1.142 1.941 -9.480 1.00 0.00 H new ATOM 0 HA MET A 27 1.114 4.634 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.143 4.933 -10.995 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.614 3.326 -10.477 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.341 2.267 -12.088 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.146 3.547 -12.153 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.056 3.255 -14.544 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.053 3.046 -12.777 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.128 1.927 -13.807 1.00 0.00 H new ATOM 400 N GLU A 28 -1.488 3.707 -10.605 1.00 0.00 N ATOM 401 CA GLU A 28 -2.778 4.143 -11.126 1.00 0.00 C ATOM 402 C GLU A 28 -3.732 4.497 -9.988 1.00 0.00 C ATOM 403 O GLU A 28 -4.520 5.437 -10.094 1.00 0.00 O ATOM 404 CB GLU A 28 -3.396 3.051 -12.002 1.00 0.00 C ATOM 405 CG GLU A 28 -2.449 2.514 -13.062 1.00 0.00 C ATOM 406 CD GLU A 28 -3.177 1.989 -14.283 1.00 0.00 C ATOM 407 OE1 GLU A 28 -4.010 2.733 -14.844 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.916 0.833 -14.679 1.00 0.00 O ATOM 0 H GLU A 28 -1.361 2.695 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.614 5.034 -11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.721 2.227 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.286 3.448 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.763 3.305 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.845 1.715 -12.633 1.00 0.00 H new ATOM 415 N ASN A 29 -3.654 3.738 -8.901 1.00 0.00 N ATOM 416 CA ASN A 29 -4.511 3.970 -7.743 1.00 0.00 C ATOM 417 C ASN A 29 -3.760 4.729 -6.654 1.00 0.00 C ATOM 418 O ASN A 29 -4.165 4.732 -5.493 1.00 0.00 O ATOM 419 CB ASN A 29 -5.028 2.640 -7.190 1.00 0.00 C ATOM 420 CG ASN A 29 -6.042 1.987 -8.109 1.00 0.00 C ATOM 421 OD1 ASN A 29 -7.224 2.329 -8.090 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.583 1.040 -8.919 1.00 0.00 N ATOM 0 H ASN A 29 -3.007 2.957 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.358 4.576 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.188 1.961 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.482 2.808 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.219 0.564 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.595 0.788 -8.901 1.00 0.00 H new ATOM 429 N ASN A 30 -2.663 5.373 -7.039 1.00 0.00 N ATOM 430 CA ASN A 30 -1.854 6.137 -6.095 1.00 0.00 C ATOM 431 C ASN A 30 -1.649 5.357 -4.799 1.00 0.00 C ATOM 432 O ASN A 30 -1.805 5.900 -3.706 1.00 0.00 O ATOM 433 CB ASN A 30 -2.519 7.482 -5.794 1.00 0.00 C ATOM 434 CG ASN A 30 -2.189 8.535 -6.833 1.00 0.00 C ATOM 435 OD1 ASN A 30 -2.967 8.778 -7.756 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.029 9.167 -6.688 1.00 0.00 N ATOM 0 H ASN A 30 -2.314 5.381 -7.997 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.879 6.314 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.600 7.348 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.199 7.831 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.753 9.886 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.415 8.933 -5.908 1.00 0.00 H new ATOM 443 N ILE A 31 -1.297 4.083 -4.932 1.00 0.00 N ATOM 444 CA ILE A 31 -1.068 3.230 -3.773 1.00 0.00 C ATOM 445 C ILE A 31 0.422 3.092 -3.476 1.00 0.00 C ATOM 446 O ILE A 31 1.234 2.920 -4.385 1.00 0.00 O ATOM 447 CB ILE A 31 -1.670 1.827 -3.978 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.196 1.909 -4.044 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.232 0.893 -2.860 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.859 0.587 -4.365 1.00 0.00 C ATOM 0 H ILE A 31 -1.164 3.619 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.562 3.709 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.305 1.425 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.574 2.273 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.480 2.642 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.666 -0.094 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.145 0.815 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.571 1.288 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.940 0.720 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.510 0.231 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.605 -0.143 -3.597 1.00 0.00 H new ATOM 462 N LYS A 32 0.774 3.169 -2.197 1.00 0.00 N ATOM 463 CA LYS A 32 2.165 3.051 -1.779 1.00 0.00 C ATOM 464 C LYS A 32 2.552 1.588 -1.584 1.00 0.00 C ATOM 465 O LYS A 32 2.345 1.018 -0.512 1.00 0.00 O ATOM 466 CB LYS A 32 2.397 3.828 -0.481 1.00 0.00 C ATOM 467 CG LYS A 32 2.397 5.335 -0.666 1.00 0.00 C ATOM 468 CD LYS A 32 0.988 5.902 -0.633 1.00 0.00 C ATOM 469 CE LYS A 32 0.995 7.420 -0.729 1.00 0.00 C ATOM 470 NZ LYS A 32 1.553 8.050 0.500 1.00 0.00 N ATOM 0 H LYS A 32 0.115 3.313 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 32 2.791 3.473 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.623 3.559 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.351 3.523 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.995 5.799 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.869 5.586 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.408 5.487 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.494 5.597 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.583 7.727 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.021 7.779 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.372 9.074 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.099 7.636 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.578 7.880 0.542 1.00 0.00 H new ATOM 484 N LEU A 33 3.116 0.986 -2.625 1.00 0.00 N ATOM 485 CA LEU A 33 3.534 -0.410 -2.568 1.00 0.00 C ATOM 486 C LEU A 33 4.043 -0.770 -1.176 1.00 0.00 C ATOM 487 O LEU A 33 3.503 -1.659 -0.517 1.00 0.00 O ATOM 488 CB LEU A 33 4.624 -0.680 -3.607 1.00 0.00 C ATOM 489 CG LEU A 33 4.141 -1.152 -4.979 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.322 -1.384 -5.909 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.310 -2.420 -4.844 1.00 0.00 C ATOM 0 H LEU A 33 3.294 1.443 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 33 2.667 -1.032 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.203 0.233 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.303 -1.432 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 33 3.512 -0.373 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.960 -1.719 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.878 -0.454 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.976 -2.145 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.974 -2.742 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.916 -3.206 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.444 -2.222 -4.213 1.00 0.00 H new ATOM 503 N SER A 34 5.083 -0.070 -0.732 1.00 0.00 N ATOM 504 CA SER A 34 5.665 -0.317 0.582 1.00 0.00 C ATOM 505 C SER A 34 4.577 -0.445 1.644 1.00 0.00 C ATOM 506 O SER A 34 4.656 -1.296 2.529 1.00 0.00 O ATOM 507 CB SER A 34 6.629 0.811 0.956 1.00 0.00 C ATOM 508 OG SER A 34 6.963 0.761 2.332 1.00 0.00 O ATOM 0 H SER A 34 5.539 0.672 -1.263 1.00 0.00 H new ATOM 0 HA SER A 34 6.216 -1.257 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.535 0.733 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.174 1.774 0.724 1.00 0.00 H new ATOM 0 HG SER A 34 7.581 1.491 2.545 1.00 0.00 H new ATOM 514 N GLU A 35 3.563 0.408 1.547 1.00 0.00 N ATOM 515 CA GLU A 35 2.458 0.391 2.499 1.00 0.00 C ATOM 516 C GLU A 35 1.602 -0.860 2.319 1.00 0.00 C ATOM 517 O GLU A 35 1.096 -1.424 3.289 1.00 0.00 O ATOM 518 CB GLU A 35 1.593 1.642 2.332 1.00 0.00 C ATOM 519 CG GLU A 35 2.348 2.940 2.564 1.00 0.00 C ATOM 520 CD GLU A 35 2.885 3.059 3.977 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.219 2.563 4.910 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.973 3.648 4.150 1.00 0.00 O ATOM 0 H GLU A 35 3.483 1.119 0.820 1.00 0.00 H new ATOM 0 HA GLU A 35 2.879 0.380 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.172 1.651 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.755 1.590 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.176 3.005 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.687 3.782 2.359 1.00 0.00 H new ATOM 529 N VAL A 36 1.446 -1.286 1.071 1.00 0.00 N ATOM 530 CA VAL A 36 0.652 -2.471 0.762 1.00 0.00 C ATOM 531 C VAL A 36 1.225 -3.709 1.444 1.00 0.00 C ATOM 532 O VAL A 36 2.419 -3.987 1.349 1.00 0.00 O ATOM 533 CB VAL A 36 0.585 -2.721 -0.757 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.259 -3.950 -1.059 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.034 -1.498 -1.473 1.00 0.00 C ATOM 0 H VAL A 36 1.858 -0.830 0.257 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.354 -2.285 1.137 1.00 0.00 H new ATOM 0 HB VAL A 36 1.595 -2.904 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.295 -4.111 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.182 -4.822 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.270 -3.799 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.007 -1.691 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.969 -1.282 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.682 -0.642 -1.283 1.00 0.00 H new ATOM 545 N VAL A 37 0.363 -4.449 2.134 1.00 0.00 N ATOM 546 CA VAL A 37 0.781 -5.658 2.833 1.00 0.00 C ATOM 547 C VAL A 37 0.944 -6.823 1.863 1.00 0.00 C ATOM 548 O VAL A 37 -0.036 -7.420 1.421 1.00 0.00 O ATOM 549 CB VAL A 37 -0.229 -6.053 3.926 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.197 -7.346 4.605 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.378 -4.932 4.943 1.00 0.00 C ATOM 0 H VAL A 37 -0.630 -4.232 2.224 1.00 0.00 H new ATOM 0 HA VAL A 37 1.741 -5.438 3.299 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.199 -6.219 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.529 -7.609 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.248 -8.145 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.177 -7.211 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.096 -5.228 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.587 -4.732 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.733 -4.031 4.442 1.00 0.00 H new ATOM 561 N GLY A 38 2.193 -7.143 1.536 1.00 0.00 N ATOM 562 CA GLY A 38 2.464 -8.236 0.621 1.00 0.00 C ATOM 563 C GLY A 38 1.859 -9.546 1.087 1.00 0.00 C ATOM 564 O GLY A 38 1.625 -9.740 2.280 1.00 0.00 O ATOM 0 H GLY A 38 3.022 -6.664 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.070 -7.987 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.542 -8.356 0.512 1.00 0.00 H new ATOM 627 N ARG A 44 6.334 -11.084 -1.267 1.00 0.00 N ATOM 628 CA ARG A 44 6.074 -10.596 -2.616 1.00 0.00 C ATOM 629 C ARG A 44 4.644 -10.078 -2.740 1.00 0.00 C ATOM 630 O ARG A 44 3.686 -10.797 -2.452 1.00 0.00 O ATOM 631 CB ARG A 44 6.316 -11.708 -3.639 1.00 0.00 C ATOM 632 CG ARG A 44 5.910 -11.332 -5.054 1.00 0.00 C ATOM 633 CD ARG A 44 6.243 -12.440 -6.042 1.00 0.00 C ATOM 634 NE ARG A 44 5.173 -13.430 -6.134 1.00 0.00 N ATOM 635 CZ ARG A 44 5.326 -14.627 -6.689 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.497 -14.980 -7.200 1.00 0.00 N ATOM 637 NH2 ARG A 44 4.305 -15.474 -6.734 1.00 0.00 N ATOM 0 HA ARG A 44 6.759 -9.772 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.373 -11.973 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.762 -12.596 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.840 -11.126 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.420 -10.415 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.422 -12.007 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.167 -12.932 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 44 4.259 -13.189 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.284 -14.332 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.611 -15.900 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.402 -15.206 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.423 -16.393 -7.160 1.00 0.00 H new ATOM 651 N ILE A 45 4.508 -8.829 -3.172 1.00 0.00 N ATOM 652 CA ILE A 45 3.196 -8.216 -3.335 1.00 0.00 C ATOM 653 C ILE A 45 2.534 -8.670 -4.632 1.00 0.00 C ATOM 654 O ILE A 45 3.070 -8.462 -5.721 1.00 0.00 O ATOM 655 CB ILE A 45 3.289 -6.679 -3.332 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.000 -6.192 -2.067 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.900 -6.064 -3.435 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.709 -4.868 -2.244 1.00 0.00 C ATOM 0 H ILE A 45 5.291 -8.222 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 45 2.590 -8.538 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 45 3.871 -6.363 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.270 -6.099 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.725 -6.944 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.982 -4.977 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.426 -6.389 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.296 -6.385 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.190 -4.585 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.463 -4.961 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.986 -4.103 -2.526 1.00 0.00 H new ATOM 670 N LEU A 46 1.367 -9.291 -4.507 1.00 0.00 N ATOM 671 CA LEU A 46 0.629 -9.775 -5.670 1.00 0.00 C ATOM 672 C LEU A 46 -0.441 -8.773 -6.091 1.00 0.00 C ATOM 673 O LEU A 46 -0.677 -7.776 -5.408 1.00 0.00 O ATOM 674 CB LEU A 46 -0.015 -11.128 -5.363 1.00 0.00 C ATOM 675 CG LEU A 46 0.897 -12.176 -4.726 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.099 -13.411 -4.333 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.026 -12.549 -5.675 1.00 0.00 C ATOM 0 H LEU A 46 0.911 -9.472 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 46 1.333 -9.894 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.863 -10.962 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.413 -11.538 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 46 1.334 -11.748 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.765 -14.146 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.673 -13.132 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.367 -13.840 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.665 -13.296 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.608 -12.957 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.615 -11.662 -5.906 1.00 0.00 H new ATOM 689 N LYS A 47 -1.087 -9.045 -7.219 1.00 0.00 N ATOM 690 CA LYS A 47 -2.135 -8.170 -7.731 1.00 0.00 C ATOM 691 C LYS A 47 -3.270 -8.033 -6.722 1.00 0.00 C ATOM 692 O LYS A 47 -3.783 -6.937 -6.497 1.00 0.00 O ATOM 693 CB LYS A 47 -2.679 -8.711 -9.056 1.00 0.00 C ATOM 694 CG LYS A 47 -3.894 -7.958 -9.568 1.00 0.00 C ATOM 695 CD LYS A 47 -4.162 -8.263 -11.032 1.00 0.00 C ATOM 696 CE LYS A 47 -5.548 -7.800 -11.453 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.878 -8.227 -12.841 1.00 0.00 N ATOM 0 H LYS A 47 -0.903 -9.865 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.700 -7.185 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.891 -8.666 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.940 -9.762 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.767 -8.227 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.740 -6.887 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.410 -7.773 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.067 -9.335 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.290 -8.202 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.604 -6.714 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.831 -7.892 -13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.185 -7.823 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.849 -9.265 -12.901 1.00 0.00 H new ATOM 711 N GLU A 48 -3.657 -9.152 -6.116 1.00 0.00 N ATOM 712 CA GLU A 48 -4.731 -9.154 -5.131 1.00 0.00 C ATOM 713 C GLU A 48 -4.476 -8.114 -4.044 1.00 0.00 C ATOM 714 O GLU A 48 -5.360 -7.331 -3.699 1.00 0.00 O ATOM 715 CB GLU A 48 -4.872 -10.542 -4.501 1.00 0.00 C ATOM 716 CG GLU A 48 -5.093 -11.651 -5.515 1.00 0.00 C ATOM 717 CD GLU A 48 -5.908 -12.800 -4.955 1.00 0.00 C ATOM 718 OE1 GLU A 48 -5.806 -13.063 -3.738 1.00 0.00 O ATOM 719 OE2 GLU A 48 -6.649 -13.436 -5.733 1.00 0.00 O ATOM 0 H GLU A 48 -3.243 -10.068 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.659 -8.898 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.974 -10.763 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.707 -10.530 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.600 -11.243 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.127 -12.027 -5.853 1.00 0.00 H new ATOM 726 N ASP A 49 -3.260 -8.112 -3.510 1.00 0.00 N ATOM 727 CA ASP A 49 -2.886 -7.168 -2.463 1.00 0.00 C ATOM 728 C ASP A 49 -3.392 -5.767 -2.788 1.00 0.00 C ATOM 729 O ASP A 49 -4.043 -5.124 -1.964 1.00 0.00 O ATOM 730 CB ASP A 49 -1.367 -7.146 -2.285 1.00 0.00 C ATOM 731 CG ASP A 49 -0.871 -8.270 -1.396 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.658 -8.749 -0.552 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.302 -8.671 -1.545 1.00 0.00 O ATOM 0 H ASP A 49 -2.516 -8.753 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.349 -7.495 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.889 -7.221 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.068 -6.189 -1.857 1.00 0.00 H new ATOM 738 N ILE A 50 -3.088 -5.299 -3.994 1.00 0.00 N ATOM 739 CA ILE A 50 -3.512 -3.973 -4.428 1.00 0.00 C ATOM 740 C ILE A 50 -4.992 -3.748 -4.136 1.00 0.00 C ATOM 741 O ILE A 50 -5.382 -2.697 -3.626 1.00 0.00 O ATOM 742 CB ILE A 50 -3.260 -3.766 -5.934 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.782 -3.984 -6.260 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.703 -2.374 -6.357 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.879 -2.893 -5.728 1.00 0.00 C ATOM 0 H ILE A 50 -2.550 -5.818 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.919 -3.251 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.846 -4.497 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.464 -4.941 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.662 -4.048 -7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.519 -2.242 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.767 -2.254 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.141 -1.627 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.154 -3.113 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.170 -1.936 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.969 -2.843 -4.643 1.00 0.00 H new ATOM 757 N LEU A 51 -5.812 -4.741 -4.461 1.00 0.00 N ATOM 758 CA LEU A 51 -7.250 -4.652 -4.231 1.00 0.00 C ATOM 759 C LEU A 51 -7.561 -4.605 -2.739 1.00 0.00 C ATOM 760 O LEU A 51 -8.623 -4.136 -2.331 1.00 0.00 O ATOM 761 CB LEU A 51 -7.964 -5.842 -4.875 1.00 0.00 C ATOM 762 CG LEU A 51 -7.946 -5.887 -6.404 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.287 -7.285 -6.900 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.915 -4.864 -6.979 1.00 0.00 C ATOM 0 H LEU A 51 -5.506 -5.617 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.609 -3.730 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.511 -6.759 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.002 -5.840 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.941 -5.637 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.270 -7.299 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.555 -7.996 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.281 -7.563 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.889 -4.910 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.924 -5.083 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.627 -3.865 -6.651 1.00 0.00 H new ATOM 776 N ASN A 52 -6.627 -5.093 -1.928 1.00 0.00 N ATOM 777 CA ASN A 52 -6.802 -5.104 -0.481 1.00 0.00 C ATOM 778 C ASN A 52 -6.417 -3.758 0.125 1.00 0.00 C ATOM 779 O ASN A 52 -6.944 -3.360 1.164 1.00 0.00 O ATOM 780 CB ASN A 52 -5.959 -6.218 0.146 1.00 0.00 C ATOM 781 CG ASN A 52 -6.196 -7.563 -0.511 1.00 0.00 C ATOM 782 OD1 ASN A 52 -5.273 -8.362 -0.668 1.00 0.00 O ATOM 783 ND2 ASN A 52 -7.440 -7.820 -0.901 1.00 0.00 N ATOM 0 H ASN A 52 -5.742 -5.486 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.855 -5.289 -0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.903 -5.959 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.190 -6.290 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.660 -8.709 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.175 -7.128 -0.751 1.00 0.00 H new ATOM 790 N TYR A 53 -5.497 -3.061 -0.532 1.00 0.00 N ATOM 791 CA TYR A 53 -5.041 -1.760 -0.059 1.00 0.00 C ATOM 792 C TYR A 53 -6.043 -0.667 -0.416 1.00 0.00 C ATOM 793 O TYR A 53 -6.052 0.406 0.187 1.00 0.00 O ATOM 794 CB TYR A 53 -3.673 -1.428 -0.656 1.00 0.00 C ATOM 795 CG TYR A 53 -3.190 -0.033 -0.326 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.791 1.084 -0.892 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.132 0.167 0.553 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.353 2.360 -0.593 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.689 1.439 0.859 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.303 2.532 0.282 1.00 0.00 C ATOM 801 OH TYR A 53 -1.863 3.801 0.584 1.00 0.00 O ATOM 0 H TYR A 53 -5.052 -3.376 -1.394 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.955 -1.807 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.943 -2.151 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.722 -1.540 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.615 0.953 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.648 -0.687 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.831 3.218 -1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.867 1.577 1.546 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.117 3.747 1.217 1.00 0.00 H new ATOM 811 N LEU A 54 -6.890 -0.950 -1.401 1.00 0.00 N ATOM 812 CA LEU A 54 -7.898 0.007 -1.840 1.00 0.00 C ATOM 813 C LEU A 54 -9.175 -0.130 -1.015 1.00 0.00 C ATOM 814 O LEU A 54 -9.738 0.864 -0.558 1.00 0.00 O ATOM 815 CB LEU A 54 -8.212 -0.198 -3.323 1.00 0.00 C ATOM 816 CG LEU A 54 -7.141 0.273 -4.308 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.424 -0.263 -5.702 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.064 1.793 -4.325 1.00 0.00 C ATOM 0 H LEU A 54 -6.898 -1.834 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.499 1.011 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.391 -1.260 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.142 0.323 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.177 -0.117 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.651 0.083 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.428 -1.353 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.396 0.096 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.297 2.111 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.028 2.203 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.812 2.156 -3.328 1.00 0.00 H new ATOM 830 N GLU A 55 -9.623 -1.367 -0.828 1.00 0.00 N ATOM 831 CA GLU A 55 -10.831 -1.632 -0.057 1.00 0.00 C ATOM 832 C GLU A 55 -10.743 -0.997 1.327 1.00 0.00 C ATOM 833 O GLU A 55 -11.754 -0.595 1.904 1.00 0.00 O ATOM 834 CB GLU A 55 -11.057 -3.140 0.076 1.00 0.00 C ATOM 835 CG GLU A 55 -10.066 -3.825 1.001 1.00 0.00 C ATOM 836 CD GLU A 55 -10.270 -5.326 1.065 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.471 -5.945 -0.001 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.227 -5.884 2.182 1.00 0.00 O ATOM 0 H GLU A 55 -9.168 -2.201 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.674 -1.190 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.067 -3.316 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.995 -3.597 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.052 -3.614 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.160 -3.406 2.003 1.00 0.00 H new