USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 LYS NZ :NH3+ -109:sc= -1.21 (180deg=-2.77!) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.026) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.493 -6.072 -3.753 1.00 0.00 N ATOM 224 CA LEU A 17 9.397 -7.396 -4.359 1.00 0.00 C ATOM 225 C LEU A 17 7.995 -7.643 -4.907 1.00 0.00 C ATOM 226 O LEU A 17 7.069 -7.945 -4.155 1.00 0.00 O ATOM 227 CB LEU A 17 9.755 -8.474 -3.335 1.00 0.00 C ATOM 228 CG LEU A 17 9.847 -9.904 -3.869 1.00 0.00 C ATOM 229 CD1 LEU A 17 10.980 -10.023 -4.877 1.00 0.00 C ATOM 230 CD2 LEU A 17 10.042 -10.888 -2.727 1.00 0.00 C ATOM 0 HA LEU A 17 10.104 -7.442 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.712 -8.214 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.011 -8.452 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 17 8.911 -10.145 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.032 -11.047 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.798 -9.345 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.923 -9.763 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.105 -11.900 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.963 -10.650 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.198 -10.821 -2.041 1.00 0.00 H new ATOM 242 N ALA A 18 7.849 -7.518 -6.221 1.00 0.00 N ATOM 243 CA ALA A 18 6.561 -7.733 -6.871 1.00 0.00 C ATOM 244 C ALA A 18 6.691 -7.647 -8.388 1.00 0.00 C ATOM 245 O ALA A 18 7.665 -7.104 -8.910 1.00 0.00 O ATOM 246 CB ALA A 18 5.542 -6.721 -6.368 1.00 0.00 C ATOM 0 H ALA A 18 8.606 -7.269 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 18 6.216 -8.736 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.585 -6.892 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.420 -6.832 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.890 -5.712 -6.592 1.00 0.00 H new ATOM 252 N THR A 19 5.702 -8.188 -9.093 1.00 0.00 N ATOM 253 CA THR A 19 5.705 -8.175 -10.550 1.00 0.00 C ATOM 254 C THR A 19 5.546 -6.758 -11.087 1.00 0.00 C ATOM 255 O THR A 19 5.092 -5.851 -10.389 1.00 0.00 O ATOM 256 CB THR A 19 4.582 -9.059 -11.123 1.00 0.00 C ATOM 257 OG1 THR A 19 3.475 -9.094 -10.215 1.00 0.00 O ATOM 258 CG2 THR A 19 5.082 -10.472 -11.377 1.00 0.00 C ATOM 0 H THR A 19 4.888 -8.641 -8.677 1.00 0.00 H new ATOM 0 HA THR A 19 6.668 -8.575 -10.867 1.00 0.00 H new ATOM 0 HB THR A 19 4.259 -8.630 -12.072 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.764 -9.657 -10.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.271 -11.078 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.905 -10.444 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.429 -10.909 -10.441 1.00 0.00 H new ATOM 266 N PRO A 20 5.925 -6.559 -12.359 1.00 0.00 N ATOM 267 CA PRO A 20 5.832 -5.254 -13.018 1.00 0.00 C ATOM 268 C PRO A 20 4.389 -4.839 -13.282 1.00 0.00 C ATOM 269 O PRO A 20 4.029 -3.673 -13.124 1.00 0.00 O ATOM 270 CB PRO A 20 6.575 -5.469 -14.339 1.00 0.00 C ATOM 271 CG PRO A 20 6.468 -6.932 -14.600 1.00 0.00 C ATOM 272 CD PRO A 20 6.475 -7.595 -13.250 1.00 0.00 C ATOM 0 HA PRO A 20 6.249 -4.457 -12.403 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.125 -4.889 -15.145 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.616 -5.155 -14.263 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.553 -7.165 -15.145 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.300 -7.281 -15.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.864 -8.498 -13.242 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.481 -7.889 -12.952 1.00 0.00 H new ATOM 280 N ALA A 21 3.565 -5.802 -13.683 1.00 0.00 N ATOM 281 CA ALA A 21 2.160 -5.537 -13.967 1.00 0.00 C ATOM 282 C ALA A 21 1.432 -5.045 -12.721 1.00 0.00 C ATOM 283 O ALA A 21 0.549 -4.191 -12.801 1.00 0.00 O ATOM 284 CB ALA A 21 1.487 -6.788 -14.514 1.00 0.00 C ATOM 0 H ALA A 21 3.847 -6.773 -13.818 1.00 0.00 H new ATOM 0 HA ALA A 21 2.109 -4.751 -14.720 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.438 -6.576 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.984 -7.096 -15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.556 -7.590 -13.779 1.00 0.00 H new ATOM 290 N VAL A 22 1.809 -5.589 -11.567 1.00 0.00 N ATOM 291 CA VAL A 22 1.192 -5.204 -10.303 1.00 0.00 C ATOM 292 C VAL A 22 1.756 -3.881 -9.797 1.00 0.00 C ATOM 293 O VAL A 22 1.030 -3.060 -9.237 1.00 0.00 O ATOM 294 CB VAL A 22 1.400 -6.284 -9.226 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.990 -5.761 -7.858 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.626 -7.545 -9.578 1.00 0.00 C ATOM 0 H VAL A 22 2.538 -6.297 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 22 0.125 -5.091 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 22 2.460 -6.535 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.144 -6.539 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.594 -4.890 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.063 -5.479 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.785 -8.297 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.437 -7.313 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.974 -7.930 -10.536 1.00 0.00 H new ATOM 306 N ARG A 23 3.054 -3.682 -9.998 1.00 0.00 N ATOM 307 CA ARG A 23 3.716 -2.458 -9.561 1.00 0.00 C ATOM 308 C ARG A 23 3.003 -1.227 -10.114 1.00 0.00 C ATOM 309 O ARG A 23 3.005 -0.164 -9.493 1.00 0.00 O ATOM 310 CB ARG A 23 5.179 -2.457 -10.009 1.00 0.00 C ATOM 311 CG ARG A 23 6.098 -3.241 -9.087 1.00 0.00 C ATOM 312 CD ARG A 23 7.512 -3.314 -9.640 1.00 0.00 C ATOM 313 NE ARG A 23 8.244 -2.067 -9.438 1.00 0.00 N ATOM 314 CZ ARG A 23 8.171 -1.029 -10.264 1.00 0.00 C ATOM 315 NH1 ARG A 23 7.402 -1.090 -11.343 1.00 0.00 N ATOM 316 NH2 ARG A 23 8.868 0.072 -10.012 1.00 0.00 N ATOM 0 H ARG A 23 3.668 -4.352 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 23 3.676 -2.422 -8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.243 -2.875 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.531 -1.427 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.115 -2.772 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.706 -4.249 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.048 -4.131 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.473 -3.543 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 23 8.845 -1.988 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.865 -1.935 -11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.347 -0.292 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.461 0.122 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.811 0.868 -10.647 1.00 0.00 H new ATOM 330 N ARG A 24 2.392 -1.379 -11.286 1.00 0.00 N ATOM 331 CA ARG A 24 1.677 -0.281 -11.922 1.00 0.00 C ATOM 332 C ARG A 24 0.320 -0.059 -11.260 1.00 0.00 C ATOM 333 O ARG A 24 -0.054 1.073 -10.949 1.00 0.00 O ATOM 334 CB ARG A 24 1.488 -0.563 -13.414 1.00 0.00 C ATOM 335 CG ARG A 24 0.258 0.101 -14.009 1.00 0.00 C ATOM 336 CD ARG A 24 0.235 -0.025 -15.525 1.00 0.00 C ATOM 337 NE ARG A 24 -1.016 0.467 -16.096 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.253 0.529 -17.402 1.00 0.00 C ATOM 339 NH1 ARG A 24 -0.330 0.133 -18.266 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.417 0.988 -17.844 1.00 0.00 N ATOM 0 H ARG A 24 2.379 -2.252 -11.813 1.00 0.00 H new ATOM 0 HA ARG A 24 2.273 0.624 -11.803 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.371 -0.222 -13.954 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.418 -1.640 -13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.640 -0.354 -13.591 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.241 1.155 -13.730 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.071 0.533 -15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.375 -1.069 -15.804 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.747 0.780 -15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.565 -0.221 -17.929 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.515 0.182 -19.268 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.130 1.293 -17.181 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.599 1.036 -18.847 1.00 0.00 H new ATOM 354 N LEU A 25 -0.414 -1.146 -11.050 1.00 0.00 N ATOM 355 CA LEU A 25 -1.730 -1.072 -10.425 1.00 0.00 C ATOM 356 C LEU A 25 -1.725 -0.084 -9.262 1.00 0.00 C ATOM 357 O LEU A 25 -2.766 0.460 -8.894 1.00 0.00 O ATOM 358 CB LEU A 25 -2.163 -2.454 -9.935 1.00 0.00 C ATOM 359 CG LEU A 25 -3.664 -2.650 -9.721 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.418 -2.479 -11.030 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.942 -4.020 -9.118 1.00 0.00 C ATOM 0 H LEU A 25 -0.120 -2.089 -11.303 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.441 -0.721 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.819 -3.197 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.652 -2.661 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.014 -1.889 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.485 -2.622 -10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.245 -1.476 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.065 -3.216 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.015 -4.142 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.576 -4.795 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.434 -4.105 -8.158 1.00 0.00 H new ATOM 373 N ALA A 26 -0.548 0.140 -8.688 1.00 0.00 N ATOM 374 CA ALA A 26 -0.408 1.064 -7.570 1.00 0.00 C ATOM 375 C ALA A 26 -0.159 2.486 -8.060 1.00 0.00 C ATOM 376 O ALA A 26 -0.722 3.443 -7.529 1.00 0.00 O ATOM 377 CB ALA A 26 0.720 0.616 -6.654 1.00 0.00 C ATOM 0 H ALA A 26 0.322 -0.306 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.342 1.059 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.813 1.315 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.501 -0.379 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.655 0.591 -7.214 1.00 0.00 H new ATOM 383 N MET A 27 0.686 2.618 -9.076 1.00 0.00 N ATOM 384 CA MET A 27 1.009 3.924 -9.639 1.00 0.00 C ATOM 385 C MET A 27 -0.236 4.589 -10.219 1.00 0.00 C ATOM 386 O MET A 27 -0.283 5.809 -10.374 1.00 0.00 O ATOM 387 CB MET A 27 2.079 3.787 -10.723 1.00 0.00 C ATOM 388 CG MET A 27 1.510 3.564 -12.115 1.00 0.00 C ATOM 389 SD MET A 27 2.789 3.481 -13.383 1.00 0.00 S ATOM 390 CE MET A 27 1.961 4.287 -14.751 1.00 0.00 C ATOM 0 H MET A 27 1.160 1.836 -9.527 1.00 0.00 H new ATOM 0 HA MET A 27 1.395 4.552 -8.836 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.694 4.687 -10.731 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.736 2.955 -10.470 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.934 2.638 -12.124 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.818 4.372 -12.354 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.626 4.314 -15.614 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.057 3.734 -15.006 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.695 5.305 -14.466 1.00 0.00 H new ATOM 400 N GLU A 28 -1.240 3.778 -10.536 1.00 0.00 N ATOM 401 CA GLU A 28 -2.485 4.289 -11.099 1.00 0.00 C ATOM 402 C GLU A 28 -3.459 4.689 -9.994 1.00 0.00 C ATOM 403 O GLU A 28 -4.275 5.592 -10.169 1.00 0.00 O ATOM 404 CB GLU A 28 -3.129 3.239 -12.006 1.00 0.00 C ATOM 405 CG GLU A 28 -2.382 3.023 -13.313 1.00 0.00 C ATOM 406 CD GLU A 28 -2.723 4.066 -14.359 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.561 5.270 -14.073 1.00 0.00 O ATOM 408 OE2 GLU A 28 -3.152 3.676 -15.466 1.00 0.00 O ATOM 0 H GLU A 28 -1.216 2.766 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.250 5.174 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.185 2.292 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.153 3.541 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.309 3.043 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.618 2.033 -13.702 1.00 0.00 H new ATOM 415 N ASN A 29 -3.366 4.007 -8.856 1.00 0.00 N ATOM 416 CA ASN A 29 -4.239 4.289 -7.723 1.00 0.00 C ATOM 417 C ASN A 29 -3.477 5.013 -6.617 1.00 0.00 C ATOM 418 O ASN A 29 -3.929 5.071 -5.474 1.00 0.00 O ATOM 419 CB ASN A 29 -4.840 2.992 -7.180 1.00 0.00 C ATOM 420 CG ASN A 29 -5.855 2.384 -8.128 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.985 2.862 -8.235 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.457 1.324 -8.822 1.00 0.00 N ATOM 0 H ASN A 29 -2.695 3.256 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.045 4.937 -8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.041 2.273 -6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.317 3.190 -6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.097 0.872 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.511 0.961 -8.702 1.00 0.00 H new ATOM 429 N ASN A 30 -2.318 5.561 -6.964 1.00 0.00 N ATOM 430 CA ASN A 30 -1.492 6.280 -6.001 1.00 0.00 C ATOM 431 C ASN A 30 -1.325 5.473 -4.718 1.00 0.00 C ATOM 432 O ASN A 30 -1.440 6.009 -3.615 1.00 0.00 O ATOM 433 CB ASN A 30 -2.114 7.642 -5.683 1.00 0.00 C ATOM 434 CG ASN A 30 -1.946 8.634 -6.817 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.852 8.797 -7.356 1.00 0.00 O ATOM 436 ND2 ASN A 30 -3.033 9.301 -7.185 1.00 0.00 N ATOM 0 H ASN A 30 -1.929 5.521 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.508 6.431 -6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.175 7.513 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.656 8.046 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.982 9.981 -7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.920 9.133 -6.709 1.00 0.00 H new ATOM 443 N ILE A 31 -1.053 4.181 -4.870 1.00 0.00 N ATOM 444 CA ILE A 31 -0.868 3.299 -3.723 1.00 0.00 C ATOM 445 C ILE A 31 0.612 3.056 -3.450 1.00 0.00 C ATOM 446 O ILE A 31 1.389 2.788 -4.367 1.00 0.00 O ATOM 447 CB ILE A 31 -1.569 1.945 -3.936 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.085 2.138 -4.027 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.219 0.985 -2.810 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.844 0.853 -4.271 1.00 0.00 C ATOM 0 H ILE A 31 -0.956 3.722 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.316 3.799 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.220 1.516 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.442 2.591 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.306 2.839 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.722 0.032 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.141 0.827 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.543 1.407 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.912 1.066 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.515 0.409 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.653 0.157 -3.454 1.00 0.00 H new ATOM 462 N LYS A 32 0.997 3.150 -2.182 1.00 0.00 N ATOM 463 CA LYS A 32 2.384 2.937 -1.785 1.00 0.00 C ATOM 464 C LYS A 32 2.683 1.449 -1.629 1.00 0.00 C ATOM 465 O LYS A 32 2.458 0.868 -0.567 1.00 0.00 O ATOM 466 CB LYS A 32 2.679 3.667 -0.473 1.00 0.00 C ATOM 467 CG LYS A 32 2.841 5.168 -0.637 1.00 0.00 C ATOM 468 CD LYS A 32 1.502 5.884 -0.577 1.00 0.00 C ATOM 469 CE LYS A 32 1.147 6.285 0.847 1.00 0.00 C ATOM 470 NZ LYS A 32 0.377 5.219 1.547 1.00 0.00 N ATOM 0 H LYS A 32 0.368 3.372 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 32 3.026 3.339 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.871 3.472 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.589 3.257 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.495 5.552 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.326 5.380 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.534 6.772 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.723 5.235 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.060 6.498 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.562 7.205 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.609 5.526 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.400 4.346 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.802 5.039 2.479 1.00 0.00 H new ATOM 484 N LEU A 33 3.191 0.837 -2.694 1.00 0.00 N ATOM 485 CA LEU A 33 3.523 -0.583 -2.675 1.00 0.00 C ATOM 486 C LEU A 33 4.021 -1.008 -1.297 1.00 0.00 C ATOM 487 O LEU A 33 3.435 -1.878 -0.655 1.00 0.00 O ATOM 488 CB LEU A 33 4.584 -0.894 -3.731 1.00 0.00 C ATOM 489 CG LEU A 33 4.060 -1.301 -5.109 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.215 -1.578 -6.059 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.156 -2.520 -4.996 1.00 0.00 C ATOM 0 H LEU A 33 3.382 1.303 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 33 2.617 -1.145 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.218 -0.015 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.219 -1.696 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 33 3.475 -0.475 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.823 -1.866 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.824 -0.680 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.828 -2.387 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.792 -2.796 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.718 -3.352 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.310 -2.287 -4.350 1.00 0.00 H new ATOM 503 N SER A 34 5.106 -0.384 -0.848 1.00 0.00 N ATOM 504 CA SER A 34 5.684 -0.698 0.454 1.00 0.00 C ATOM 505 C SER A 34 4.594 -0.850 1.510 1.00 0.00 C ATOM 506 O SER A 34 4.639 -1.760 2.337 1.00 0.00 O ATOM 507 CB SER A 34 6.669 0.394 0.874 1.00 0.00 C ATOM 508 OG SER A 34 7.482 -0.039 1.951 1.00 0.00 O ATOM 0 H SER A 34 5.602 0.341 -1.366 1.00 0.00 H new ATOM 0 HA SER A 34 6.217 -1.645 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.298 0.666 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.121 1.290 1.165 1.00 0.00 H new ATOM 0 HG SER A 34 8.104 0.676 2.200 1.00 0.00 H new ATOM 514 N GLU A 35 3.616 0.051 1.476 1.00 0.00 N ATOM 515 CA GLU A 35 2.515 0.017 2.431 1.00 0.00 C ATOM 516 C GLU A 35 1.600 -1.174 2.166 1.00 0.00 C ATOM 517 O GLU A 35 1.008 -1.735 3.088 1.00 0.00 O ATOM 518 CB GLU A 35 1.711 1.318 2.362 1.00 0.00 C ATOM 519 CG GLU A 35 2.536 2.560 2.651 1.00 0.00 C ATOM 520 CD GLU A 35 3.161 2.537 4.033 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.431 2.274 5.010 1.00 0.00 O ATOM 522 OE2 GLU A 35 4.382 2.782 4.135 1.00 0.00 O ATOM 0 H GLU A 35 3.564 0.812 0.799 1.00 0.00 H new ATOM 0 HA GLU A 35 2.938 -0.088 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.268 1.409 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.888 1.265 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.323 2.651 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.903 3.442 2.557 1.00 0.00 H new ATOM 529 N VAL A 36 1.488 -1.556 0.897 1.00 0.00 N ATOM 530 CA VAL A 36 0.645 -2.680 0.508 1.00 0.00 C ATOM 531 C VAL A 36 1.153 -3.983 1.117 1.00 0.00 C ATOM 532 O VAL A 36 2.183 -4.514 0.702 1.00 0.00 O ATOM 533 CB VAL A 36 0.582 -2.832 -1.023 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.342 -3.976 -1.409 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.130 -1.530 -1.669 1.00 0.00 C ATOM 0 H VAL A 36 1.971 -1.103 0.121 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.356 -2.471 0.885 1.00 0.00 H new ATOM 0 HB VAL A 36 1.582 -3.065 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.374 -4.068 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.029 -4.905 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.345 -3.776 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.091 -1.655 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.860 -1.265 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.835 -0.737 -1.421 1.00 0.00 H new ATOM 545 N VAL A 37 0.423 -4.492 2.103 1.00 0.00 N ATOM 546 CA VAL A 37 0.797 -5.735 2.768 1.00 0.00 C ATOM 547 C VAL A 37 0.975 -6.865 1.762 1.00 0.00 C ATOM 548 O VAL A 37 0.001 -7.435 1.273 1.00 0.00 O ATOM 549 CB VAL A 37 -0.256 -6.153 3.812 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.137 -7.467 4.470 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.436 -5.058 4.853 1.00 0.00 C ATOM 0 H VAL A 37 -0.431 -4.063 2.460 1.00 0.00 H new ATOM 0 HA VAL A 37 1.745 -5.550 3.273 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.209 -6.300 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.618 -7.746 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.211 -8.246 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.100 -7.351 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.183 -5.369 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.512 -4.878 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.766 -4.142 4.364 1.00 0.00 H new ATOM 561 N GLY A 38 2.229 -7.186 1.455 1.00 0.00 N ATOM 562 CA GLY A 38 2.513 -8.249 0.508 1.00 0.00 C ATOM 563 C GLY A 38 2.137 -9.617 1.041 1.00 0.00 C ATOM 564 O GLY A 38 2.569 -10.008 2.125 1.00 0.00 O ATOM 0 H GLY A 38 3.053 -6.729 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.969 -8.061 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.575 -8.238 0.262 1.00 0.00 H new ATOM 627 N ARG A 44 6.320 -10.865 -1.200 1.00 0.00 N ATOM 628 CA ARG A 44 6.030 -10.470 -2.574 1.00 0.00 C ATOM 629 C ARG A 44 4.593 -9.975 -2.705 1.00 0.00 C ATOM 630 O ARG A 44 3.645 -10.705 -2.413 1.00 0.00 O ATOM 631 CB ARG A 44 6.265 -11.645 -3.524 1.00 0.00 C ATOM 632 CG ARG A 44 6.078 -11.290 -4.990 1.00 0.00 C ATOM 633 CD ARG A 44 6.448 -12.453 -5.897 1.00 0.00 C ATOM 634 NE ARG A 44 6.870 -12.003 -7.221 1.00 0.00 N ATOM 635 CZ ARG A 44 7.342 -12.817 -8.158 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.452 -14.117 -7.917 1.00 0.00 N ATOM 637 NH2 ARG A 44 7.706 -12.332 -9.338 1.00 0.00 N ATOM 0 HA ARG A 44 6.702 -9.655 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.277 -12.024 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.581 -12.453 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.041 -11.005 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.693 -10.425 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.251 -13.030 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.592 -13.121 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 44 6.798 -11.009 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.174 -14.493 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.815 -14.740 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.623 -11.333 -9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.068 -12.958 -10.057 1.00 0.00 H new ATOM 651 N ILE A 45 4.439 -8.732 -3.146 1.00 0.00 N ATOM 652 CA ILE A 45 3.118 -8.139 -3.317 1.00 0.00 C ATOM 653 C ILE A 45 2.460 -8.625 -4.605 1.00 0.00 C ATOM 654 O ILE A 45 2.968 -8.389 -5.701 1.00 0.00 O ATOM 655 CB ILE A 45 3.188 -6.601 -3.339 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.899 -6.085 -2.085 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.791 -6.008 -3.445 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.619 -4.771 -2.297 1.00 0.00 C ATOM 0 H ILE A 45 5.213 -8.115 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 45 2.519 -8.454 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 45 3.760 -6.290 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.168 -5.965 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.617 -6.834 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.858 -4.920 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.317 -6.355 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.196 -6.324 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.100 -4.465 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.374 -4.891 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.902 -4.009 -2.602 1.00 0.00 H new ATOM 670 N LEU A 46 1.326 -9.301 -4.464 1.00 0.00 N ATOM 671 CA LEU A 46 0.596 -9.819 -5.616 1.00 0.00 C ATOM 672 C LEU A 46 -0.494 -8.846 -6.053 1.00 0.00 C ATOM 673 O LEU A 46 -0.778 -7.865 -5.364 1.00 0.00 O ATOM 674 CB LEU A 46 -0.022 -11.179 -5.285 1.00 0.00 C ATOM 675 CG LEU A 46 0.951 -12.263 -4.818 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.236 -13.597 -4.677 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.120 -12.381 -5.785 1.00 0.00 C ATOM 0 H LEU A 46 0.892 -9.504 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 46 1.302 -9.938 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.774 -11.035 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.543 -11.544 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 46 1.341 -11.979 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.944 -14.356 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.567 -13.504 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.183 -13.889 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.803 -13.157 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.748 -12.642 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.648 -11.429 -5.835 1.00 0.00 H new ATOM 689 N LYS A 47 -1.104 -9.124 -7.200 1.00 0.00 N ATOM 690 CA LYS A 47 -2.165 -8.275 -7.727 1.00 0.00 C ATOM 691 C LYS A 47 -3.295 -8.123 -6.714 1.00 0.00 C ATOM 692 O LYS A 47 -3.830 -7.031 -6.528 1.00 0.00 O ATOM 693 CB LYS A 47 -2.712 -8.859 -9.032 1.00 0.00 C ATOM 694 CG LYS A 47 -3.916 -8.110 -9.577 1.00 0.00 C ATOM 695 CD LYS A 47 -4.183 -8.465 -11.030 1.00 0.00 C ATOM 696 CE LYS A 47 -5.358 -7.677 -11.589 1.00 0.00 C ATOM 697 NZ LYS A 47 -4.928 -6.372 -12.160 1.00 0.00 N ATOM 0 H LYS A 47 -0.881 -9.931 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.743 -7.290 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.921 -8.853 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.987 -9.901 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.795 -8.346 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.748 -7.037 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.292 -8.263 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.387 -9.533 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.855 -8.265 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.089 -7.505 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.757 -5.756 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.250 -5.918 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.476 -6.529 -13.084 1.00 0.00 H new ATOM 711 N GLU A 48 -3.651 -9.225 -6.061 1.00 0.00 N ATOM 712 CA GLU A 48 -4.716 -9.211 -5.066 1.00 0.00 C ATOM 713 C GLU A 48 -4.440 -8.169 -3.987 1.00 0.00 C ATOM 714 O GLU A 48 -5.310 -7.367 -3.645 1.00 0.00 O ATOM 715 CB GLU A 48 -4.865 -10.595 -4.428 1.00 0.00 C ATOM 716 CG GLU A 48 -5.298 -11.673 -5.406 1.00 0.00 C ATOM 717 CD GLU A 48 -6.801 -11.709 -5.609 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.332 -10.793 -6.272 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.446 -12.651 -5.103 1.00 0.00 O ATOM 0 H GLU A 48 -3.218 -10.137 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.646 -8.948 -5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.914 -10.883 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.593 -10.536 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.810 -11.505 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.961 -12.644 -5.043 1.00 0.00 H new ATOM 726 N ASP A 49 -3.224 -8.186 -3.453 1.00 0.00 N ATOM 727 CA ASP A 49 -2.831 -7.242 -2.414 1.00 0.00 C ATOM 728 C ASP A 49 -3.375 -5.849 -2.711 1.00 0.00 C ATOM 729 O ASP A 49 -4.016 -5.228 -1.863 1.00 0.00 O ATOM 730 CB ASP A 49 -1.307 -7.194 -2.287 1.00 0.00 C ATOM 731 CG ASP A 49 -0.746 -8.411 -1.580 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.469 -9.002 -0.751 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.417 -8.772 -1.855 1.00 0.00 O ATOM 0 H ASP A 49 -2.493 -8.844 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.255 -7.583 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.865 -7.119 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.019 -6.296 -1.741 1.00 0.00 H new ATOM 738 N ILE A 50 -3.113 -5.363 -3.920 1.00 0.00 N ATOM 739 CA ILE A 50 -3.576 -4.044 -4.329 1.00 0.00 C ATOM 740 C ILE A 50 -5.074 -3.888 -4.093 1.00 0.00 C ATOM 741 O ILE A 50 -5.512 -2.989 -3.373 1.00 0.00 O ATOM 742 CB ILE A 50 -3.270 -3.775 -5.815 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.773 -3.929 -6.086 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.746 -2.385 -6.210 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.953 -2.740 -5.640 1.00 0.00 C ATOM 0 H ILE A 50 -2.582 -5.864 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.038 -3.319 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.806 -4.507 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.410 -4.822 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.620 -4.086 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.523 -2.209 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.821 -2.309 -6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.235 -1.639 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.099 -2.919 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.289 -1.848 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.076 -2.595 -4.567 1.00 0.00 H new ATOM 757 N LEU A 51 -5.857 -4.772 -4.704 1.00 0.00 N ATOM 758 CA LEU A 51 -7.308 -4.736 -4.558 1.00 0.00 C ATOM 759 C LEU A 51 -7.713 -4.820 -3.090 1.00 0.00 C ATOM 760 O LEU A 51 -8.836 -4.478 -2.724 1.00 0.00 O ATOM 761 CB LEU A 51 -7.948 -5.884 -5.342 1.00 0.00 C ATOM 762 CG LEU A 51 -7.896 -5.768 -6.865 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.245 -7.099 -7.514 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.838 -4.675 -7.349 1.00 0.00 C ATOM 0 H LEU A 51 -5.512 -5.521 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.664 -3.787 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.458 -6.813 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.992 -5.966 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.880 -5.500 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.203 -6.997 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.532 -7.858 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.251 -7.396 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.788 -4.606 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.858 -4.914 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.544 -3.721 -6.911 1.00 0.00 H new ATOM 776 N ASN A 52 -6.786 -5.276 -2.252 1.00 0.00 N ATOM 777 CA ASN A 52 -7.044 -5.402 -0.823 1.00 0.00 C ATOM 778 C ASN A 52 -6.663 -4.123 -0.085 1.00 0.00 C ATOM 779 O ASN A 52 -7.165 -3.850 1.006 1.00 0.00 O ATOM 780 CB ASN A 52 -6.268 -6.587 -0.246 1.00 0.00 C ATOM 781 CG ASN A 52 -6.811 -7.922 -0.721 1.00 0.00 C ATOM 782 OD1 ASN A 52 -7.830 -7.979 -1.410 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.133 -9.002 -0.352 1.00 0.00 N ATOM 0 H ASN A 52 -5.850 -5.564 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.112 -5.574 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.219 -6.503 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.308 -6.548 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.452 -9.927 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.294 -8.907 0.219 1.00 0.00 H new ATOM 790 N TYR A 53 -5.773 -3.342 -0.687 1.00 0.00 N ATOM 791 CA TYR A 53 -5.323 -2.092 -0.088 1.00 0.00 C ATOM 792 C TYR A 53 -6.323 -0.971 -0.350 1.00 0.00 C ATOM 793 O TYR A 53 -6.407 -0.006 0.411 1.00 0.00 O ATOM 794 CB TYR A 53 -3.950 -1.704 -0.637 1.00 0.00 C ATOM 795 CG TYR A 53 -3.546 -0.284 -0.310 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.205 0.796 -0.886 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.506 -0.021 0.572 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.840 2.096 -0.592 1.00 0.00 C ATOM 799 CE2 TYR A 53 -2.135 1.276 0.873 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.805 2.330 0.288 1.00 0.00 C ATOM 801 OH TYR A 53 -2.437 3.622 0.584 1.00 0.00 O ATOM 0 H TYR A 53 -5.349 -3.553 -1.590 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.247 -2.242 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.201 -2.387 -0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.951 -1.832 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.017 0.616 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.978 -0.844 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.362 2.924 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.325 1.463 1.562 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.692 3.612 1.221 1.00 0.00 H new ATOM 811 N LEU A 54 -7.081 -1.105 -1.432 1.00 0.00 N ATOM 812 CA LEU A 54 -8.078 -0.104 -1.798 1.00 0.00 C ATOM 813 C LEU A 54 -9.343 -0.263 -0.960 1.00 0.00 C ATOM 814 O LEU A 54 -9.892 0.716 -0.455 1.00 0.00 O ATOM 815 CB LEU A 54 -8.421 -0.214 -3.284 1.00 0.00 C ATOM 816 CG LEU A 54 -7.344 0.264 -4.259 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.568 -0.337 -5.637 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.330 1.784 -4.333 1.00 0.00 C ATOM 0 H LEU A 54 -7.025 -1.897 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.655 0.881 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.648 -1.256 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.330 0.358 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.374 -0.071 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.792 0.014 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.528 -1.424 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.545 -0.032 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.558 2.107 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.301 2.141 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.121 2.194 -3.345 1.00 0.00 H new ATOM 830 N GLU A 55 -9.798 -1.504 -0.813 1.00 0.00 N ATOM 831 CA GLU A 55 -10.996 -1.790 -0.034 1.00 0.00 C ATOM 832 C GLU A 55 -10.911 -1.154 1.349 1.00 0.00 C ATOM 833 O GLU A 55 -11.930 -0.853 1.972 1.00 0.00 O ATOM 834 CB GLU A 55 -11.196 -3.302 0.099 1.00 0.00 C ATOM 835 CG GLU A 55 -10.211 -3.964 1.048 1.00 0.00 C ATOM 836 CD GLU A 55 -10.749 -5.253 1.639 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.878 -5.236 2.173 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.040 -6.279 1.568 1.00 0.00 O ATOM 0 H GLU A 55 -9.355 -2.326 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.850 -1.362 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.210 -3.497 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.103 -3.760 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.283 -4.172 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.968 -3.272 1.854 1.00 0.00 H new