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= 0.0481 USER MOD Single : A 27 MET CE :methyl -118:sc= -0.466 (180deg=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0.301 K(o=0.3,f=-0.75) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.1) 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= -0.0864 K(o=-0.086,f=-1.3) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.292 -5.858 -3.634 1.00 0.00 N ATOM 224 CA LEU A 17 9.271 -7.174 -4.264 1.00 0.00 C ATOM 225 C LEU A 17 7.883 -7.496 -4.808 1.00 0.00 C ATOM 226 O LEU A 17 6.968 -7.817 -4.051 1.00 0.00 O ATOM 227 CB LEU A 17 9.700 -8.247 -3.261 1.00 0.00 C ATOM 228 CG LEU A 17 9.642 -9.692 -3.758 1.00 0.00 C ATOM 229 CD1 LEU A 17 10.661 -9.917 -4.865 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.878 -10.661 -2.608 1.00 0.00 C ATOM 0 HA LEU A 17 9.973 -7.162 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.721 -8.033 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.069 -8.162 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 17 8.648 -9.877 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.605 -10.951 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.447 -9.248 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.662 -9.714 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.833 -11.685 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.860 -10.476 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.110 -10.517 -1.848 1.00 0.00 H new ATOM 242 N ALA A 18 7.737 -7.411 -6.126 1.00 0.00 N ATOM 243 CA ALA A 18 6.462 -7.698 -6.772 1.00 0.00 C ATOM 244 C ALA A 18 6.593 -7.646 -8.291 1.00 0.00 C ATOM 245 O ALA A 18 7.526 -7.044 -8.825 1.00 0.00 O ATOM 246 CB ALA A 18 5.399 -6.719 -6.299 1.00 0.00 C ATOM 0 H ALA A 18 8.485 -7.146 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 18 6.160 -8.708 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.452 -6.945 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.278 -6.807 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.703 -5.703 -6.549 1.00 0.00 H new ATOM 252 N THR A 19 5.653 -8.282 -8.984 1.00 0.00 N ATOM 253 CA THR A 19 5.665 -8.310 -10.441 1.00 0.00 C ATOM 254 C THR A 19 5.550 -6.904 -11.019 1.00 0.00 C ATOM 255 O THR A 19 5.120 -5.965 -10.350 1.00 0.00 O ATOM 256 CB THR A 19 4.517 -9.175 -10.995 1.00 0.00 C ATOM 257 OG1 THR A 19 3.405 -9.150 -10.094 1.00 0.00 O ATOM 258 CG2 THR A 19 4.974 -10.611 -11.203 1.00 0.00 C ATOM 0 H THR A 19 4.874 -8.785 -8.559 1.00 0.00 H new ATOM 0 HA THR A 19 6.618 -8.747 -10.741 1.00 0.00 H new ATOM 0 HB THR A 19 4.214 -8.763 -11.957 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.679 -9.701 -10.455 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.147 -11.203 -11.595 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.802 -10.630 -11.912 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.301 -11.030 -10.252 1.00 0.00 H new ATOM 266 N PRO A 20 5.945 -6.754 -12.292 1.00 0.00 N ATOM 267 CA PRO A 20 5.894 -5.465 -12.989 1.00 0.00 C ATOM 268 C PRO A 20 4.465 -5.015 -13.274 1.00 0.00 C ATOM 269 O PRO A 20 4.146 -3.831 -13.175 1.00 0.00 O ATOM 270 CB PRO A 20 6.640 -5.739 -14.297 1.00 0.00 C ATOM 271 CG PRO A 20 6.490 -7.205 -14.518 1.00 0.00 C ATOM 272 CD PRO A 20 6.468 -7.829 -13.150 1.00 0.00 C ATOM 0 HA PRO A 20 6.330 -4.663 -12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.214 -5.168 -15.123 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.690 -5.455 -14.221 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.572 -7.426 -15.063 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.315 -7.597 -15.113 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.830 -8.712 -13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.463 -8.145 -12.837 1.00 0.00 H new ATOM 280 N ALA A 21 3.609 -5.968 -13.628 1.00 0.00 N ATOM 281 CA ALA A 21 2.213 -5.670 -13.925 1.00 0.00 C ATOM 282 C ALA A 21 1.481 -5.178 -12.682 1.00 0.00 C ATOM 283 O ALA A 21 0.568 -4.357 -12.770 1.00 0.00 O ATOM 284 CB ALA A 21 1.521 -6.899 -14.496 1.00 0.00 C ATOM 0 H ALA A 21 3.858 -6.953 -13.716 1.00 0.00 H new ATOM 0 HA ALA A 21 2.187 -4.874 -14.669 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.479 -6.662 -14.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.022 -7.205 -15.414 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.565 -7.711 -13.770 1.00 0.00 H new ATOM 290 N VAL A 22 1.886 -5.685 -11.521 1.00 0.00 N ATOM 291 CA VAL A 22 1.268 -5.297 -10.260 1.00 0.00 C ATOM 292 C VAL A 22 1.809 -3.958 -9.771 1.00 0.00 C ATOM 293 O VAL A 22 1.066 -3.132 -9.242 1.00 0.00 O ATOM 294 CB VAL A 22 1.500 -6.360 -9.170 1.00 0.00 C ATOM 295 CG1 VAL A 22 1.052 -5.841 -7.812 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.775 -7.651 -9.522 1.00 0.00 C ATOM 0 H VAL A 22 2.640 -6.366 -11.429 1.00 0.00 H new ATOM 0 HA VAL A 22 0.198 -5.207 -10.448 1.00 0.00 H new ATOM 0 HB VAL A 22 2.568 -6.572 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.224 -6.606 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.621 -4.946 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.010 -5.598 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.950 -8.391 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.294 -7.457 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.150 -8.031 -10.472 1.00 0.00 H new ATOM 306 N ARG A 23 3.109 -3.750 -9.954 1.00 0.00 N ATOM 307 CA ARG A 23 3.752 -2.511 -9.531 1.00 0.00 C ATOM 308 C ARG A 23 3.027 -1.299 -10.110 1.00 0.00 C ATOM 309 O ARG A 23 3.076 -0.206 -9.544 1.00 0.00 O ATOM 310 CB ARG A 23 5.218 -2.498 -9.966 1.00 0.00 C ATOM 311 CG ARG A 23 6.121 -3.352 -9.089 1.00 0.00 C ATOM 312 CD ARG A 23 7.483 -3.563 -9.732 1.00 0.00 C ATOM 313 NE ARG A 23 8.368 -4.361 -8.888 1.00 0.00 N ATOM 314 CZ ARG A 23 9.593 -4.727 -9.248 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.075 -4.370 -10.430 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.338 -5.454 -8.424 1.00 0.00 N ATOM 0 H ARG A 23 3.738 -4.423 -10.392 1.00 0.00 H new ATOM 0 HA ARG A 23 3.703 -2.458 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.286 -2.851 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.582 -1.471 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.246 -2.873 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.648 -4.318 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.357 -4.058 -10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.945 -2.596 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 23 8.027 -4.653 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.505 -3.813 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.016 -4.653 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.970 -5.732 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.279 -5.735 -8.701 1.00 0.00 H new ATOM 330 N ARG A 24 2.358 -1.499 -11.240 1.00 0.00 N ATOM 331 CA ARG A 24 1.626 -0.423 -11.896 1.00 0.00 C ATOM 332 C ARG A 24 0.272 -0.201 -11.228 1.00 0.00 C ATOM 333 O ARG A 24 -0.100 0.932 -10.917 1.00 0.00 O ATOM 334 CB ARG A 24 1.428 -0.742 -13.380 1.00 0.00 C ATOM 335 CG ARG A 24 0.213 -0.065 -13.992 1.00 0.00 C ATOM 336 CD ARG A 24 0.394 0.161 -15.484 1.00 0.00 C ATOM 337 NE ARG A 24 -0.881 0.156 -16.197 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.998 -0.108 -17.494 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.079 -0.389 -18.215 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.192 -0.093 -18.070 1.00 0.00 N ATOM 0 H ARG A 24 2.308 -2.397 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 24 2.213 0.491 -11.803 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.318 -0.438 -13.930 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.332 -1.821 -13.501 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.672 -0.678 -13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.039 0.890 -13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.897 1.114 -15.648 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.041 -0.615 -15.892 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.728 0.367 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.999 -0.403 -17.774 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.012 -0.591 -19.211 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.022 0.121 -17.517 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.280 -0.296 -19.066 1.00 0.00 H new ATOM 354 N LEU A 25 -0.460 -1.287 -11.010 1.00 0.00 N ATOM 355 CA LEU A 25 -1.774 -1.211 -10.380 1.00 0.00 C ATOM 356 C LEU A 25 -1.758 -0.238 -9.205 1.00 0.00 C ATOM 357 O LEU A 25 -2.794 0.300 -8.818 1.00 0.00 O ATOM 358 CB LEU A 25 -2.214 -2.597 -9.904 1.00 0.00 C ATOM 359 CG LEU A 25 -3.721 -2.811 -9.763 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.410 -2.651 -11.110 1.00 0.00 C ATOM 361 CD2 LEU A 25 -4.012 -4.182 -9.172 1.00 0.00 C ATOM 0 H LEU A 25 -0.166 -2.231 -11.260 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.485 -0.846 -11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.826 -3.339 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.748 -2.793 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.115 -2.055 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.482 -2.807 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.230 -1.647 -11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.013 -3.385 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.090 -4.317 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.605 -4.954 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.550 -4.259 -8.188 1.00 0.00 H new ATOM 373 N ALA A 26 -0.573 -0.016 -8.644 1.00 0.00 N ATOM 374 CA ALA A 26 -0.422 0.895 -7.515 1.00 0.00 C ATOM 375 C ALA A 26 -0.239 2.332 -7.992 1.00 0.00 C ATOM 376 O ALA A 26 -0.957 3.235 -7.562 1.00 0.00 O ATOM 377 CB ALA A 26 0.754 0.471 -6.649 1.00 0.00 C ATOM 0 H ALA A 26 0.295 -0.454 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.333 0.850 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.855 1.160 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.583 -0.537 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.668 0.486 -7.243 1.00 0.00 H new ATOM 383 N MET A 27 0.727 2.537 -8.882 1.00 0.00 N ATOM 384 CA MET A 27 1.004 3.866 -9.417 1.00 0.00 C ATOM 385 C MET A 27 -0.256 4.483 -10.016 1.00 0.00 C ATOM 386 O MET A 27 -0.405 5.704 -10.044 1.00 0.00 O ATOM 387 CB MET A 27 2.105 3.793 -10.476 1.00 0.00 C ATOM 388 CG MET A 27 1.604 3.359 -11.844 1.00 0.00 C ATOM 389 SD MET A 27 2.817 3.638 -13.148 1.00 0.00 S ATOM 390 CE MET A 27 4.113 2.505 -12.653 1.00 0.00 C ATOM 0 H MET A 27 1.331 1.801 -9.248 1.00 0.00 H new ATOM 0 HA MET A 27 1.342 4.499 -8.596 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.578 4.771 -10.565 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.874 3.096 -10.142 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.346 2.300 -11.813 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.690 3.903 -12.081 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.023 3.065 -12.437 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.800 1.962 -11.761 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.306 1.798 -13.460 1.00 0.00 H new ATOM 400 N GLU A 28 -1.157 3.631 -10.494 1.00 0.00 N ATOM 401 CA GLU A 28 -2.402 4.096 -11.095 1.00 0.00 C ATOM 402 C GLU A 28 -3.394 4.531 -10.021 1.00 0.00 C ATOM 403 O GLU A 28 -4.162 5.473 -10.215 1.00 0.00 O ATOM 404 CB GLU A 28 -3.020 2.993 -11.959 1.00 0.00 C ATOM 405 CG GLU A 28 -2.047 2.383 -12.954 1.00 0.00 C ATOM 406 CD GLU A 28 -2.733 1.888 -14.212 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.925 2.699 -15.142 1.00 0.00 O ATOM 408 OE2 GLU A 28 -3.079 0.689 -14.267 1.00 0.00 O ATOM 0 H GLU A 28 -1.049 2.617 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.173 4.956 -11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.403 2.206 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.872 3.402 -12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.295 3.125 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.522 1.554 -12.481 1.00 0.00 H new ATOM 415 N ASN A 29 -3.374 3.836 -8.888 1.00 0.00 N ATOM 416 CA ASN A 29 -4.272 4.150 -7.783 1.00 0.00 C ATOM 417 C ASN A 29 -3.549 4.953 -6.705 1.00 0.00 C ATOM 418 O ASN A 29 -4.048 5.105 -5.591 1.00 0.00 O ATOM 419 CB ASN A 29 -4.842 2.864 -7.180 1.00 0.00 C ATOM 420 CG ASN A 29 -5.894 2.227 -8.068 1.00 0.00 C ATOM 421 OD1 ASN A 29 -7.044 2.666 -8.099 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.504 1.186 -8.794 1.00 0.00 N ATOM 0 H ASN A 29 -2.746 3.052 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.091 4.754 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.032 2.154 -7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.278 3.085 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.168 0.716 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.540 0.856 -8.736 1.00 0.00 H new ATOM 429 N ASN A 30 -2.371 5.463 -7.046 1.00 0.00 N ATOM 430 CA ASN A 30 -1.579 6.251 -6.108 1.00 0.00 C ATOM 431 C ASN A 30 -1.428 5.521 -4.777 1.00 0.00 C ATOM 432 O ASN A 30 -1.532 6.126 -3.710 1.00 0.00 O ATOM 433 CB ASN A 30 -2.228 7.618 -5.881 1.00 0.00 C ATOM 434 CG ASN A 30 -1.989 8.570 -7.037 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.633 8.150 -8.139 1.00 0.00 O ATOM 436 ND2 ASN A 30 -2.182 9.860 -6.791 1.00 0.00 N ATOM 0 H ASN A 30 -1.943 5.345 -7.964 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.588 6.394 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.301 7.489 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.833 8.057 -4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.035 10.548 -7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.477 10.164 -5.863 1.00 0.00 H new ATOM 443 N ILE A 31 -1.181 4.216 -4.849 1.00 0.00 N ATOM 444 CA ILE A 31 -1.014 3.404 -3.650 1.00 0.00 C ATOM 445 C ILE A 31 0.462 3.202 -3.324 1.00 0.00 C ATOM 446 O ILE A 31 1.269 2.909 -4.207 1.00 0.00 O ATOM 447 CB ILE A 31 -1.688 2.028 -3.803 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.200 2.193 -3.972 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.375 1.148 -2.603 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.908 0.911 -4.354 1.00 0.00 C ATOM 0 H ILE A 31 -1.092 3.700 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.493 3.945 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.293 1.543 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.623 2.569 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.392 2.946 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.859 0.179 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.297 1.008 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.745 1.625 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.976 1.102 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.512 0.545 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.746 0.161 -3.579 1.00 0.00 H new ATOM 462 N LYS A 32 0.808 3.359 -2.051 1.00 0.00 N ATOM 463 CA LYS A 32 2.186 3.190 -1.606 1.00 0.00 C ATOM 464 C LYS A 32 2.535 1.712 -1.463 1.00 0.00 C ATOM 465 O LYS A 32 2.314 1.111 -0.410 1.00 0.00 O ATOM 466 CB LYS A 32 2.405 3.908 -0.273 1.00 0.00 C ATOM 467 CG LYS A 32 2.315 5.421 -0.375 1.00 0.00 C ATOM 468 CD LYS A 32 0.877 5.901 -0.284 1.00 0.00 C ATOM 469 CE LYS A 32 0.803 7.409 -0.094 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.501 7.962 -0.551 1.00 0.00 N ATOM 0 H LYS A 32 0.152 3.603 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 32 2.841 3.628 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.665 3.556 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.385 3.636 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.903 5.876 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.750 5.750 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.341 5.621 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.378 5.404 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.951 7.650 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.613 7.885 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.512 8.992 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.631 7.754 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.273 7.527 -0.006 1.00 0.00 H new ATOM 484 N LEU A 33 3.081 1.131 -2.525 1.00 0.00 N ATOM 485 CA LEU A 33 3.463 -0.276 -2.517 1.00 0.00 C ATOM 486 C LEU A 33 3.961 -0.698 -1.139 1.00 0.00 C ATOM 487 O LEU A 33 3.420 -1.618 -0.526 1.00 0.00 O ATOM 488 CB LEU A 33 4.544 -0.539 -3.566 1.00 0.00 C ATOM 489 CG LEU A 33 4.050 -0.951 -4.953 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.224 -1.183 -5.891 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.182 -2.198 -4.860 1.00 0.00 C ATOM 0 H LEU A 33 3.269 1.613 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 33 2.580 -0.867 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.147 0.363 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.203 -1.321 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 33 3.444 -0.141 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.853 -1.475 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.805 -0.265 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.857 -1.975 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.839 -2.478 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.764 -3.015 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.321 -1.995 -4.223 1.00 0.00 H new ATOM 503 N SER A 34 4.995 -0.016 -0.655 1.00 0.00 N ATOM 504 CA SER A 34 5.569 -0.320 0.650 1.00 0.00 C ATOM 505 C SER A 34 4.473 -0.485 1.699 1.00 0.00 C ATOM 506 O SER A 34 4.532 -1.386 2.536 1.00 0.00 O ATOM 507 CB SER A 34 6.536 0.785 1.077 1.00 0.00 C ATOM 508 OG SER A 34 7.223 0.432 2.264 1.00 0.00 O ATOM 0 H SER A 34 5.452 0.751 -1.148 1.00 0.00 H new ATOM 0 HA SER A 34 6.116 -1.259 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.255 0.972 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.986 1.713 1.234 1.00 0.00 H new ATOM 0 HG SER A 34 7.836 1.155 2.514 1.00 0.00 H new ATOM 514 N GLU A 35 3.475 0.391 1.647 1.00 0.00 N ATOM 515 CA GLU A 35 2.367 0.343 2.593 1.00 0.00 C ATOM 516 C GLU A 35 1.507 -0.896 2.361 1.00 0.00 C ATOM 517 O GLU A 35 0.865 -1.402 3.282 1.00 0.00 O ATOM 518 CB GLU A 35 1.508 1.603 2.471 1.00 0.00 C ATOM 519 CG GLU A 35 2.282 2.891 2.693 1.00 0.00 C ATOM 520 CD GLU A 35 2.829 3.007 4.103 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.182 2.487 5.036 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.905 3.619 4.273 1.00 0.00 O ATOM 0 H GLU A 35 3.411 1.142 0.960 1.00 0.00 H new ATOM 0 HA GLU A 35 2.784 0.292 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.054 1.628 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.694 1.549 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.107 2.942 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.631 3.741 2.488 1.00 0.00 H new ATOM 529 N VAL A 36 1.500 -1.381 1.123 1.00 0.00 N ATOM 530 CA VAL A 36 0.719 -2.560 0.769 1.00 0.00 C ATOM 531 C VAL A 36 1.384 -3.833 1.281 1.00 0.00 C ATOM 532 O VAL A 36 2.363 -4.310 0.708 1.00 0.00 O ATOM 533 CB VAL A 36 0.531 -2.671 -0.756 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.450 -3.784 -1.093 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.063 -1.344 -1.333 1.00 0.00 C ATOM 0 H VAL A 36 2.026 -0.976 0.349 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.257 -2.447 1.241 1.00 0.00 H new ATOM 0 HB VAL A 36 1.492 -2.918 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.570 -3.848 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.069 -4.732 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.415 -3.571 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.065 -1.441 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.888 -1.065 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.805 -0.574 -1.123 1.00 0.00 H new ATOM 545 N VAL A 37 0.845 -4.380 2.367 1.00 0.00 N ATOM 546 CA VAL A 37 1.384 -5.599 2.957 1.00 0.00 C ATOM 547 C VAL A 37 1.294 -6.767 1.983 1.00 0.00 C ATOM 548 O VAL A 37 0.233 -7.366 1.810 1.00 0.00 O ATOM 549 CB VAL A 37 0.642 -5.969 4.256 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.851 -6.099 3.999 1.00 0.00 C ATOM 551 CG2 VAL A 37 1.205 -7.255 4.842 1.00 0.00 C ATOM 0 H VAL A 37 0.035 -3.998 2.855 1.00 0.00 H new ATOM 0 HA VAL A 37 2.431 -5.403 3.188 1.00 0.00 H new ATOM 0 HB VAL A 37 0.793 -5.170 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.359 -6.361 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.240 -5.151 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.026 -6.879 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.670 -7.502 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.086 -8.065 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.263 -7.121 5.065 1.00 0.00 H new ATOM 561 N GLY A 38 2.418 -7.088 1.348 1.00 0.00 N ATOM 562 CA GLY A 38 2.445 -8.186 0.398 1.00 0.00 C ATOM 563 C GLY A 38 1.856 -9.461 0.968 1.00 0.00 C ATOM 564 O GLY A 38 1.437 -9.496 2.125 1.00 0.00 O ATOM 0 H GLY A 38 3.309 -6.608 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.891 -7.902 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.474 -8.371 0.090 1.00 0.00 H new ATOM 627 N ARG A 44 6.296 -11.026 -1.436 1.00 0.00 N ATOM 628 CA ARG A 44 6.010 -10.543 -2.782 1.00 0.00 C ATOM 629 C ARG A 44 4.577 -10.033 -2.884 1.00 0.00 C ATOM 630 O ARG A 44 3.623 -10.802 -2.749 1.00 0.00 O ATOM 631 CB ARG A 44 6.241 -11.657 -3.805 1.00 0.00 C ATOM 632 CG ARG A 44 5.641 -11.364 -5.169 1.00 0.00 C ATOM 633 CD ARG A 44 5.824 -12.536 -6.122 1.00 0.00 C ATOM 634 NE ARG A 44 4.869 -13.609 -5.859 1.00 0.00 N ATOM 635 CZ ARG A 44 4.848 -14.754 -6.532 1.00 0.00 C ATOM 636 NH1 ARG A 44 5.724 -14.973 -7.503 1.00 0.00 N ATOM 637 NH2 ARG A 44 3.948 -15.683 -6.235 1.00 0.00 N ATOM 0 HA ARG A 44 6.687 -9.716 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.313 -11.820 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.816 -12.585 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.579 -11.144 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.109 -10.475 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.707 -12.190 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.839 -12.923 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 44 4.181 -13.472 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.417 -14.261 -7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.705 -15.853 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.272 -15.518 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.933 -16.562 -6.752 1.00 0.00 H new ATOM 651 N ILE A 45 4.432 -8.734 -3.121 1.00 0.00 N ATOM 652 CA ILE A 45 3.114 -8.123 -3.241 1.00 0.00 C ATOM 653 C ILE A 45 2.399 -8.600 -4.500 1.00 0.00 C ATOM 654 O ILE A 45 2.839 -8.328 -5.618 1.00 0.00 O ATOM 655 CB ILE A 45 3.208 -6.585 -3.269 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.088 -6.085 -2.122 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.820 -5.968 -3.186 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.781 -4.773 -2.420 1.00 0.00 C ATOM 0 H ILE A 45 5.210 -8.084 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 45 2.543 -8.429 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 45 3.664 -6.281 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.475 -5.968 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.840 -6.841 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.903 -4.881 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.222 -6.303 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.339 -6.277 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.387 -4.479 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.421 -4.890 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.034 -4.004 -2.617 1.00 0.00 H new ATOM 670 N LEU A 46 1.292 -9.311 -4.312 1.00 0.00 N ATOM 671 CA LEU A 46 0.514 -9.825 -5.432 1.00 0.00 C ATOM 672 C LEU A 46 -0.509 -8.797 -5.903 1.00 0.00 C ATOM 673 O LEU A 46 -0.730 -7.779 -5.246 1.00 0.00 O ATOM 674 CB LEU A 46 -0.194 -11.122 -5.034 1.00 0.00 C ATOM 675 CG LEU A 46 0.683 -12.195 -4.389 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.169 -13.351 -3.887 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.732 -12.692 -5.375 1.00 0.00 C ATOM 0 H LEU A 46 0.914 -9.544 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 46 1.199 -10.030 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.999 -10.875 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.658 -11.547 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 46 1.197 -11.752 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.473 -14.105 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.880 -12.984 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.711 -13.793 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.347 -13.455 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.238 -13.118 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.363 -11.859 -5.685 1.00 0.00 H new ATOM 689 N LYS A 47 -1.135 -9.071 -7.043 1.00 0.00 N ATOM 690 CA LYS A 47 -2.139 -8.171 -7.600 1.00 0.00 C ATOM 691 C LYS A 47 -3.336 -8.045 -6.663 1.00 0.00 C ATOM 692 O LYS A 47 -3.909 -6.965 -6.516 1.00 0.00 O ATOM 693 CB LYS A 47 -2.601 -8.675 -8.968 1.00 0.00 C ATOM 694 CG LYS A 47 -3.530 -7.714 -9.689 1.00 0.00 C ATOM 695 CD LYS A 47 -3.761 -8.136 -11.130 1.00 0.00 C ATOM 696 CE LYS A 47 -5.097 -7.627 -11.653 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.197 -8.600 -11.402 1.00 0.00 N ATOM 0 H LYS A 47 -0.965 -9.909 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.685 -7.187 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.727 -8.859 -9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.109 -9.631 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.485 -7.668 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.105 -6.710 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.955 -7.754 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.732 -9.223 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.336 -6.677 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.019 -7.435 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.090 -8.217 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.981 -9.499 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.289 -8.764 -10.379 1.00 0.00 H new ATOM 711 N GLU A 48 -3.706 -9.153 -6.029 1.00 0.00 N ATOM 712 CA GLU A 48 -4.835 -9.164 -5.105 1.00 0.00 C ATOM 713 C GLU A 48 -4.602 -8.193 -3.951 1.00 0.00 C ATOM 714 O GLU A 48 -5.542 -7.584 -3.440 1.00 0.00 O ATOM 715 CB GLU A 48 -5.063 -10.575 -4.561 1.00 0.00 C ATOM 716 CG GLU A 48 -3.792 -11.258 -4.086 1.00 0.00 C ATOM 717 CD GLU A 48 -4.068 -12.466 -3.214 1.00 0.00 C ATOM 718 OE1 GLU A 48 -5.041 -12.423 -2.430 1.00 0.00 O ATOM 719 OE2 GLU A 48 -3.313 -13.456 -3.314 1.00 0.00 O ATOM 0 H GLU A 48 -3.241 -10.054 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.723 -8.846 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.770 -10.526 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.524 -11.185 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.205 -11.566 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.187 -10.543 -3.528 1.00 0.00 H new ATOM 726 N ASP A 49 -3.345 -8.055 -3.547 1.00 0.00 N ATOM 727 CA ASP A 49 -2.987 -7.158 -2.454 1.00 0.00 C ATOM 728 C ASP A 49 -3.408 -5.725 -2.767 1.00 0.00 C ATOM 729 O ASP A 49 -3.890 -5.005 -1.893 1.00 0.00 O ATOM 730 CB ASP A 49 -1.482 -7.215 -2.191 1.00 0.00 C ATOM 731 CG ASP A 49 -1.131 -6.867 -0.757 1.00 0.00 C ATOM 732 OD1 ASP A 49 -2.048 -6.858 0.092 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.058 -6.607 -0.483 1.00 0.00 O ATOM 0 H ASP A 49 -2.556 -8.553 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.516 -7.486 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.114 -8.215 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.972 -6.526 -2.864 1.00 0.00 H new ATOM 738 N ILE A 50 -3.221 -5.319 -4.018 1.00 0.00 N ATOM 739 CA ILE A 50 -3.581 -3.973 -4.446 1.00 0.00 C ATOM 740 C ILE A 50 -5.077 -3.726 -4.281 1.00 0.00 C ATOM 741 O ILE A 50 -5.490 -2.704 -3.728 1.00 0.00 O ATOM 742 CB ILE A 50 -3.190 -3.726 -5.914 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.697 -3.989 -6.119 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.542 -2.303 -6.324 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.825 -2.791 -5.817 1.00 0.00 C ATOM 0 H ILE A 50 -2.822 -5.903 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.029 -3.281 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.752 -4.416 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.392 -4.820 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.529 -4.299 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.259 -2.144 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.615 -2.147 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.004 -1.598 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.220 -3.051 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.103 -1.965 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.963 -2.493 -4.778 1.00 0.00 H new ATOM 757 N LEU A 51 -5.883 -4.665 -4.762 1.00 0.00 N ATOM 758 CA LEU A 51 -7.333 -4.550 -4.666 1.00 0.00 C ATOM 759 C LEU A 51 -7.792 -4.626 -3.213 1.00 0.00 C ATOM 760 O LEU A 51 -8.910 -4.236 -2.884 1.00 0.00 O ATOM 761 CB LEU A 51 -8.007 -5.655 -5.482 1.00 0.00 C ATOM 762 CG LEU A 51 -7.909 -5.520 -7.003 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.203 -6.851 -7.676 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.860 -4.444 -7.505 1.00 0.00 C ATOM 0 H LEU A 51 -5.557 -5.515 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.622 -3.579 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.570 -6.611 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.061 -5.691 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.891 -5.224 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.129 -6.736 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.482 -7.596 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.210 -7.177 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.777 -4.362 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.883 -4.710 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.602 -3.489 -7.048 1.00 0.00 H new ATOM 776 N ASN A 52 -6.917 -5.127 -2.348 1.00 0.00 N ATOM 777 CA ASN A 52 -7.230 -5.252 -0.929 1.00 0.00 C ATOM 778 C ASN A 52 -6.800 -4.004 -0.165 1.00 0.00 C ATOM 779 O ASN A 52 -7.263 -3.754 0.949 1.00 0.00 O ATOM 780 CB ASN A 52 -6.543 -6.485 -0.339 1.00 0.00 C ATOM 781 CG ASN A 52 -7.120 -7.781 -0.878 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.239 -7.810 -1.390 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.356 -8.861 -0.763 1.00 0.00 N ATOM 0 H ASN A 52 -5.985 -5.453 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.310 -5.364 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.477 -6.445 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.643 -6.469 0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.691 -9.761 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.435 -8.790 -0.331 1.00 0.00 H new ATOM 790 N TYR A 53 -5.913 -3.222 -0.771 1.00 0.00 N ATOM 791 CA TYR A 53 -5.419 -2.000 -0.148 1.00 0.00 C ATOM 792 C TYR A 53 -6.372 -0.836 -0.401 1.00 0.00 C ATOM 793 O TYR A 53 -6.430 0.116 0.381 1.00 0.00 O ATOM 794 CB TYR A 53 -4.026 -1.658 -0.680 1.00 0.00 C ATOM 795 CG TYR A 53 -3.515 -0.312 -0.219 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.088 0.866 -0.683 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.459 -0.217 0.679 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.625 2.099 -0.266 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.990 1.012 1.102 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.577 2.166 0.628 1.00 0.00 C ATOM 801 OH TYR A 53 -2.111 3.392 1.046 1.00 0.00 O ATOM 0 H TYR A 53 -5.521 -3.413 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.358 -2.170 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.326 -2.431 -0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.048 -1.675 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.910 0.817 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.997 -1.119 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.081 3.005 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.168 1.068 1.800 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.371 3.263 1.676 1.00 0.00 H new ATOM 811 N LEU A 54 -7.117 -0.918 -1.496 1.00 0.00 N ATOM 812 CA LEU A 54 -8.070 0.128 -1.853 1.00 0.00 C ATOM 813 C LEU A 54 -9.384 -0.051 -1.100 1.00 0.00 C ATOM 814 O LEU A 54 -9.997 0.922 -0.661 1.00 0.00 O ATOM 815 CB LEU A 54 -8.328 0.117 -3.361 1.00 0.00 C ATOM 816 CG LEU A 54 -7.176 0.601 -4.243 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.352 0.104 -5.670 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.082 2.118 -4.212 1.00 0.00 C ATOM 0 H LEU A 54 -7.081 -1.697 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.639 1.089 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.584 -0.900 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.201 0.738 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.245 0.192 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.523 0.458 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.369 -0.986 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.290 0.483 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.257 2.444 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.014 2.548 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.908 2.451 -3.189 1.00 0.00 H new ATOM 830 N GLU A 55 -9.810 -1.302 -0.952 1.00 0.00 N ATOM 831 CA GLU A 55 -11.051 -1.608 -0.250 1.00 0.00 C ATOM 832 C GLU A 55 -11.044 -1.007 1.152 1.00 0.00 C ATOM 833 O GLU A 55 -12.097 -0.726 1.725 1.00 0.00 O ATOM 834 CB GLU A 55 -11.255 -3.123 -0.167 1.00 0.00 C ATOM 835 CG GLU A 55 -10.344 -3.806 0.839 1.00 0.00 C ATOM 836 CD GLU A 55 -10.949 -5.076 1.404 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.895 -4.975 2.213 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.475 -6.172 1.037 1.00 0.00 O ATOM 0 H GLU A 55 -9.314 -2.119 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.875 -1.168 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.292 -3.327 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.086 -3.558 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.393 -4.042 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.128 -3.116 1.655 1.00 0.00 H new