USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 349 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.095) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.437 K(o=-0.44,f=-3.8!) USER MOD Single : A 58 GLN : amide:sc= -0.397 K(o=-0.4,f=-2) USER MOD Single : A 59 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 236 N ASP A 15 20.707 8.877 3.353 1.00 0.00 N ATOM 237 CA ASP A 15 20.517 7.904 2.239 1.00 0.00 C ATOM 238 C ASP A 15 20.019 6.564 2.787 1.00 0.00 C ATOM 239 O ASP A 15 19.526 5.728 2.056 1.00 0.00 O ATOM 240 CB ASP A 15 21.902 7.745 1.611 1.00 0.00 C ATOM 241 CG ASP A 15 21.861 6.638 0.557 1.00 0.00 C ATOM 242 OD1 ASP A 15 21.746 5.486 0.940 1.00 0.00 O ATOM 243 OD2 ASP A 15 21.945 6.961 -0.616 1.00 0.00 O ATOM 0 HA ASP A 15 19.778 8.245 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 15 22.216 8.684 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 22.636 7.503 2.380 1.00 0.00 H new ATOM 248 N LYS A 16 20.143 6.354 4.069 1.00 0.00 N ATOM 249 CA LYS A 16 19.675 5.069 4.663 1.00 0.00 C ATOM 250 C LYS A 16 18.248 4.762 4.203 1.00 0.00 C ATOM 251 O LYS A 16 18.034 4.090 3.214 1.00 0.00 O ATOM 252 CB LYS A 16 19.716 5.292 6.175 1.00 0.00 C ATOM 253 CG LYS A 16 21.115 4.965 6.701 1.00 0.00 C ATOM 254 CD LYS A 16 21.060 3.681 7.533 1.00 0.00 C ATOM 255 CE LYS A 16 20.908 4.036 9.013 1.00 0.00 C ATOM 256 NZ LYS A 16 20.732 2.730 9.706 1.00 0.00 N ATOM 0 H LYS A 16 20.548 7.016 4.731 1.00 0.00 H new ATOM 0 HA LYS A 16 20.294 4.225 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.461 6.326 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.975 4.662 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.809 4.843 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.489 5.789 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.224 3.061 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.968 3.097 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.786 4.565 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.050 4.688 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.621 2.891 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.885 2.252 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.567 2.133 9.538 1.00 0.00 H new ATOM 270 N ALA A 17 17.269 5.249 4.916 1.00 0.00 N ATOM 271 CA ALA A 17 15.856 4.985 4.520 1.00 0.00 C ATOM 272 C ALA A 17 15.686 5.162 3.010 1.00 0.00 C ATOM 273 O ALA A 17 14.810 4.580 2.402 1.00 0.00 O ATOM 274 CB ALA A 17 15.031 6.022 5.279 1.00 0.00 C ATOM 0 H ALA A 17 17.386 5.818 5.755 1.00 0.00 H new ATOM 0 HA ALA A 17 15.546 3.967 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.975 5.893 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.179 5.891 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.349 7.023 4.989 1.00 0.00 H new ATOM 280 N LEU A 18 16.517 5.959 2.399 1.00 0.00 N ATOM 281 CA LEU A 18 16.401 6.167 0.927 1.00 0.00 C ATOM 282 C LEU A 18 16.935 4.941 0.183 1.00 0.00 C ATOM 283 O LEU A 18 16.524 4.646 -0.922 1.00 0.00 O ATOM 284 CB LEU A 18 17.263 7.394 0.630 1.00 0.00 C ATOM 285 CG LEU A 18 16.513 8.328 -0.321 1.00 0.00 C ATOM 286 CD1 LEU A 18 16.152 9.622 0.411 1.00 0.00 C ATOM 287 CD2 LEU A 18 17.402 8.653 -1.523 1.00 0.00 C ATOM 0 H LEU A 18 17.271 6.475 2.853 1.00 0.00 H new ATOM 0 HA LEU A 18 15.369 6.311 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.502 7.916 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.209 7.087 0.184 1.00 0.00 H new ATOM 0 HG LEU A 18 15.601 7.839 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.618 10.287 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.518 9.391 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.063 10.111 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 18 16.868 9.319 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.314 9.141 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 18 17.658 7.732 -2.046 1.00 0.00 H new ATOM 299 N ALA A 19 17.844 4.226 0.782 1.00 0.00 N ATOM 300 CA ALA A 19 18.404 3.018 0.114 1.00 0.00 C ATOM 301 C ALA A 19 17.368 1.891 0.109 1.00 0.00 C ATOM 302 O ALA A 19 17.406 1.004 -0.720 1.00 0.00 O ATOM 303 CB ALA A 19 19.619 2.627 0.953 1.00 0.00 C ATOM 0 H ALA A 19 18.225 4.426 1.707 1.00 0.00 H new ATOM 0 HA ALA A 19 18.673 3.207 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.088 1.742 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.335 3.449 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 19.302 2.411 1.973 1.00 0.00 H new ATOM 309 N VAL A 20 16.441 1.920 1.028 1.00 0.00 N ATOM 310 CA VAL A 20 15.405 0.848 1.070 1.00 0.00 C ATOM 311 C VAL A 20 14.389 1.052 -0.056 1.00 0.00 C ATOM 312 O VAL A 20 13.732 0.125 -0.486 1.00 0.00 O ATOM 313 CB VAL A 20 14.735 0.994 2.438 1.00 0.00 C ATOM 314 CG1 VAL A 20 13.808 2.211 2.431 1.00 0.00 C ATOM 315 CG2 VAL A 20 13.919 -0.265 2.740 1.00 0.00 C ATOM 0 H VAL A 20 16.356 2.637 1.749 1.00 0.00 H new ATOM 0 HA VAL A 20 15.832 -0.146 0.934 1.00 0.00 H new ATOM 0 HB VAL A 20 15.500 1.128 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.333 2.312 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.388 3.109 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.042 2.081 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.441 -0.164 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.156 -0.397 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.579 -1.133 2.748 1.00 0.00 H new ATOM 325 N GLU A 21 14.257 2.256 -0.543 1.00 0.00 N ATOM 326 CA GLU A 21 13.286 2.508 -1.646 1.00 0.00 C ATOM 327 C GLU A 21 13.944 2.216 -2.994 1.00 0.00 C ATOM 328 O GLU A 21 13.291 2.156 -4.017 1.00 0.00 O ATOM 329 CB GLU A 21 12.924 3.989 -1.530 1.00 0.00 C ATOM 330 CG GLU A 21 11.439 4.126 -1.187 1.00 0.00 C ATOM 331 CD GLU A 21 11.195 5.472 -0.503 1.00 0.00 C ATOM 332 OE1 GLU A 21 11.992 6.373 -0.711 1.00 0.00 O ATOM 333 OE2 GLU A 21 10.215 5.580 0.215 1.00 0.00 O ATOM 0 H GLU A 21 14.778 3.074 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 21 12.403 1.872 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.531 4.464 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.141 4.502 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.837 4.052 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.130 3.312 -0.532 1.00 0.00 H new ATOM 340 N GLN A 22 15.234 2.021 -3.000 1.00 0.00 N ATOM 341 CA GLN A 22 15.935 1.717 -4.279 1.00 0.00 C ATOM 342 C GLN A 22 15.993 0.204 -4.478 1.00 0.00 C ATOM 343 O GLN A 22 15.959 -0.293 -5.586 1.00 0.00 O ATOM 344 CB GLN A 22 17.343 2.292 -4.116 1.00 0.00 C ATOM 345 CG GLN A 22 17.834 2.830 -5.462 1.00 0.00 C ATOM 346 CD GLN A 22 17.132 4.154 -5.769 1.00 0.00 C ATOM 347 OE1 GLN A 22 16.565 4.322 -6.831 1.00 0.00 O ATOM 348 NE2 GLN A 22 17.145 5.108 -4.879 1.00 0.00 N ATOM 0 H GLN A 22 15.833 2.059 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 22 15.429 2.143 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.338 3.090 -3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.022 1.521 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.914 2.976 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.630 2.106 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.621 4.968 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.679 5.994 -5.075 1.00 0.00 H new ATOM 357 N PHE A 23 16.074 -0.529 -3.404 1.00 0.00 N ATOM 358 CA PHE A 23 16.128 -2.014 -3.514 1.00 0.00 C ATOM 359 C PHE A 23 14.732 -2.568 -3.816 1.00 0.00 C ATOM 360 O PHE A 23 14.587 -3.634 -4.380 1.00 0.00 O ATOM 361 CB PHE A 23 16.613 -2.496 -2.147 1.00 0.00 C ATOM 362 CG PHE A 23 18.117 -2.386 -2.079 1.00 0.00 C ATOM 363 CD1 PHE A 23 18.911 -3.072 -3.004 1.00 0.00 C ATOM 364 CD2 PHE A 23 18.717 -1.598 -1.089 1.00 0.00 C ATOM 365 CE1 PHE A 23 20.307 -2.971 -2.942 1.00 0.00 C ATOM 366 CE2 PHE A 23 20.112 -1.497 -1.025 1.00 0.00 C ATOM 367 CZ PHE A 23 20.907 -2.183 -1.952 1.00 0.00 C ATOM 0 H PHE A 23 16.105 -0.164 -2.452 1.00 0.00 H new ATOM 0 HA PHE A 23 16.785 -2.347 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.158 -1.899 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 23 16.305 -3.529 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.447 -3.680 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 18.104 -1.068 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.920 -3.500 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 23 20.575 -0.890 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 23 21.983 -2.104 -1.903 1.00 0.00 H new ATOM 377 N ILE A 24 13.704 -1.852 -3.448 1.00 0.00 N ATOM 378 CA ILE A 24 12.321 -2.340 -3.716 1.00 0.00 C ATOM 379 C ILE A 24 11.925 -2.021 -5.163 1.00 0.00 C ATOM 380 O ILE A 24 11.061 -2.655 -5.735 1.00 0.00 O ATOM 381 CB ILE A 24 11.435 -1.583 -2.721 1.00 0.00 C ATOM 382 CG1 ILE A 24 11.473 -2.290 -1.362 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.990 -1.549 -3.228 1.00 0.00 C ATOM 384 CD1 ILE A 24 12.918 -2.641 -0.999 1.00 0.00 C ATOM 0 H ILE A 24 13.762 -0.951 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 24 12.225 -3.419 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 24 11.807 -0.563 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.042 -1.646 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.867 -3.195 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.367 -1.009 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.955 -1.046 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.618 -2.568 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.938 -3.143 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.334 -3.301 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.512 -1.729 -0.946 1.00 0.00 H new ATOM 396 N SER A 25 12.554 -1.044 -5.759 1.00 0.00 N ATOM 397 CA SER A 25 12.212 -0.690 -7.166 1.00 0.00 C ATOM 398 C SER A 25 12.711 -1.779 -8.119 1.00 0.00 C ATOM 399 O SER A 25 12.146 -2.005 -9.170 1.00 0.00 O ATOM 400 CB SER A 25 12.938 0.629 -7.431 1.00 0.00 C ATOM 401 OG SER A 25 12.706 1.031 -8.775 1.00 0.00 O ATOM 0 H SER A 25 13.288 -0.477 -5.334 1.00 0.00 H new ATOM 0 HA SER A 25 11.137 -0.600 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.584 1.397 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.007 0.511 -7.254 1.00 0.00 H new ATOM 0 HG SER A 25 13.169 1.877 -8.948 1.00 0.00 H new ATOM 407 N ARG A 26 13.766 -2.455 -7.757 1.00 0.00 N ATOM 408 CA ARG A 26 14.300 -3.533 -8.639 1.00 0.00 C ATOM 409 C ARG A 26 13.723 -4.887 -8.221 1.00 0.00 C ATOM 410 O ARG A 26 13.601 -5.795 -9.018 1.00 0.00 O ATOM 411 CB ARG A 26 15.814 -3.505 -8.426 1.00 0.00 C ATOM 412 CG ARG A 26 16.455 -2.559 -9.443 1.00 0.00 C ATOM 413 CD ARG A 26 16.292 -3.135 -10.852 1.00 0.00 C ATOM 414 NE ARG A 26 17.680 -3.280 -11.371 1.00 0.00 N ATOM 415 CZ ARG A 26 17.879 -3.691 -12.594 1.00 0.00 C ATOM 416 NH1 ARG A 26 16.909 -3.644 -13.465 1.00 0.00 N ATOM 417 NH2 ARG A 26 19.049 -4.151 -12.944 1.00 0.00 N ATOM 0 H ARG A 26 14.282 -2.308 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 26 14.034 -3.383 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.043 -3.176 -7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.226 -4.508 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.988 -1.576 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 26 17.512 -2.424 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.777 -4.095 -10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.701 -2.472 -11.484 1.00 0.00 H new ATOM 0 HE ARG A 26 18.475 -3.058 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.994 -3.286 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.065 -3.965 -14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.807 -4.189 -12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.206 -4.472 -13.899 1.00 0.00 H new ATOM 431 N PHE A 27 13.366 -5.027 -6.973 1.00 0.00 N ATOM 432 CA PHE A 27 12.795 -6.320 -6.500 1.00 0.00 C ATOM 433 C PHE A 27 11.319 -6.421 -6.893 1.00 0.00 C ATOM 434 O PHE A 27 10.689 -7.443 -6.714 1.00 0.00 O ATOM 435 CB PHE A 27 12.940 -6.282 -4.980 1.00 0.00 C ATOM 436 CG PHE A 27 13.590 -7.544 -4.506 1.00 0.00 C ATOM 437 CD1 PHE A 27 14.977 -7.610 -4.410 1.00 0.00 C ATOM 438 CD2 PHE A 27 12.805 -8.639 -4.164 1.00 0.00 C ATOM 439 CE1 PHE A 27 15.591 -8.787 -3.967 1.00 0.00 C ATOM 440 CE2 PHE A 27 13.409 -9.821 -3.719 1.00 0.00 C ATOM 441 CZ PHE A 27 14.806 -9.896 -3.621 1.00 0.00 C ATOM 0 H PHE A 27 13.445 -4.301 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 27 13.301 -7.180 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.537 -5.420 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.961 -6.168 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 27 15.579 -6.754 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 27 11.730 -8.578 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 27 16.667 -8.841 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 27 12.801 -10.673 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 27 15.276 -10.806 -3.280 1.00 0.00 H new ATOM 451 N ASN A 28 10.766 -5.362 -7.425 1.00 0.00 N ATOM 452 CA ASN A 28 9.327 -5.384 -7.830 1.00 0.00 C ATOM 453 C ASN A 28 8.956 -6.738 -8.443 1.00 0.00 C ATOM 454 O ASN A 28 7.867 -7.240 -8.246 1.00 0.00 O ATOM 455 CB ASN A 28 9.195 -4.270 -8.869 1.00 0.00 C ATOM 456 CG ASN A 28 7.879 -4.433 -9.630 1.00 0.00 C ATOM 457 OD1 ASN A 28 6.919 -4.961 -9.103 1.00 0.00 O ATOM 458 ND2 ASN A 28 7.790 -3.998 -10.858 1.00 0.00 N ATOM 0 H ASN A 28 11.249 -4.480 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 28 8.661 -5.236 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.226 -3.297 -8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.035 -4.304 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.916 -4.101 -11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.594 -3.555 -11.302 1.00 0.00 H new ATOM 465 N SER A 29 9.851 -7.334 -9.182 1.00 0.00 N ATOM 466 CA SER A 29 9.544 -8.655 -9.801 1.00 0.00 C ATOM 467 C SER A 29 8.846 -9.562 -8.786 1.00 0.00 C ATOM 468 O SER A 29 8.015 -10.377 -9.135 1.00 0.00 O ATOM 469 CB SER A 29 10.904 -9.233 -10.193 1.00 0.00 C ATOM 470 OG SER A 29 10.779 -10.636 -10.386 1.00 0.00 O ATOM 0 H SER A 29 10.780 -6.964 -9.384 1.00 0.00 H new ATOM 0 HA SER A 29 8.877 -8.566 -10.659 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.264 -8.759 -11.106 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.639 -9.025 -9.415 1.00 0.00 H new ATOM 0 HG SER A 29 11.649 -11.010 -10.639 1.00 0.00 H new ATOM 476 N GLY A 30 9.176 -9.427 -7.530 1.00 0.00 N ATOM 477 CA GLY A 30 8.528 -10.279 -6.494 1.00 0.00 C ATOM 478 C GLY A 30 7.081 -9.850 -6.322 1.00 0.00 C ATOM 479 O GLY A 30 6.212 -10.645 -6.023 1.00 0.00 O ATOM 0 H GLY A 30 9.866 -8.764 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.576 -11.328 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.061 -10.189 -5.547 1.00 0.00 H new ATOM 483 N TYR A 31 6.812 -8.596 -6.522 1.00 0.00 N ATOM 484 CA TYR A 31 5.416 -8.101 -6.388 1.00 0.00 C ATOM 485 C TYR A 31 4.541 -8.709 -7.489 1.00 0.00 C ATOM 486 O TYR A 31 3.343 -8.516 -7.518 1.00 0.00 O ATOM 487 CB TYR A 31 5.515 -6.584 -6.554 1.00 0.00 C ATOM 488 CG TYR A 31 4.139 -6.013 -6.803 1.00 0.00 C ATOM 489 CD1 TYR A 31 3.603 -6.021 -8.096 1.00 0.00 C ATOM 490 CD2 TYR A 31 3.401 -5.476 -5.743 1.00 0.00 C ATOM 491 CE1 TYR A 31 2.327 -5.492 -8.329 1.00 0.00 C ATOM 492 CE2 TYR A 31 2.126 -4.947 -5.974 1.00 0.00 C ATOM 493 CZ TYR A 31 1.589 -4.955 -7.267 1.00 0.00 C ATOM 494 OH TYR A 31 0.332 -4.433 -7.497 1.00 0.00 O ATOM 0 H TYR A 31 7.501 -7.887 -6.774 1.00 0.00 H new ATOM 0 HA TYR A 31 4.966 -8.374 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.949 -6.137 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.177 -6.341 -7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.173 -6.435 -8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.815 -5.470 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.913 -5.498 -9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.557 -4.533 -5.155 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.044 -4.103 -6.655 1.00 0.00 H new ATOM 504 N ILE A 32 5.133 -9.444 -8.397 1.00 0.00 N ATOM 505 CA ILE A 32 4.329 -10.061 -9.490 1.00 0.00 C ATOM 506 C ILE A 32 3.702 -11.371 -9.006 1.00 0.00 C ATOM 507 O ILE A 32 2.633 -11.755 -9.435 1.00 0.00 O ATOM 508 CB ILE A 32 5.329 -10.322 -10.618 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.639 -9.006 -11.336 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.731 -11.317 -11.615 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.334 -8.366 -11.814 1.00 0.00 C ATOM 0 H ILE A 32 6.133 -9.641 -8.427 1.00 0.00 H new ATOM 0 HA ILE A 32 3.510 -9.421 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 32 6.247 -10.736 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.164 -8.328 -10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.299 -9.189 -12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.445 -11.501 -12.418 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.509 -12.254 -11.105 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.813 -10.905 -12.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.554 -7.429 -12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.827 -9.044 -12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.690 -8.169 -10.957 1.00 0.00 H new ATOM 523 N LYS A 33 4.359 -12.056 -8.112 1.00 0.00 N ATOM 524 CA LYS A 33 3.800 -13.336 -7.595 1.00 0.00 C ATOM 525 C LYS A 33 2.756 -13.049 -6.513 1.00 0.00 C ATOM 526 O LYS A 33 2.017 -13.921 -6.100 1.00 0.00 O ATOM 527 CB LYS A 33 4.996 -14.082 -7.004 1.00 0.00 C ATOM 528 CG LYS A 33 4.866 -15.577 -7.302 1.00 0.00 C ATOM 529 CD LYS A 33 6.113 -16.309 -6.804 1.00 0.00 C ATOM 530 CE LYS A 33 5.697 -17.468 -5.896 1.00 0.00 C ATOM 531 NZ LYS A 33 5.653 -18.659 -6.790 1.00 0.00 N ATOM 0 H LYS A 33 5.259 -11.785 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 33 3.305 -13.918 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.923 -13.696 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.044 -13.918 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.977 -15.979 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.742 -15.735 -8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.689 -16.685 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.759 -15.620 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.410 -17.610 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.726 -17.282 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.375 -19.496 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.961 -18.498 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.593 -18.815 -7.206 1.00 0.00 H new ATOM 545 N ALA A 34 2.691 -11.830 -6.052 1.00 0.00 N ATOM 546 CA ALA A 34 1.696 -11.480 -4.998 1.00 0.00 C ATOM 547 C ALA A 34 0.436 -10.893 -5.638 1.00 0.00 C ATOM 548 O ALA A 34 -0.603 -10.803 -5.014 1.00 0.00 O ATOM 549 CB ALA A 34 2.393 -10.432 -4.132 1.00 0.00 C ATOM 0 H ALA A 34 3.285 -11.060 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 34 1.384 -12.348 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.725 -10.120 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.300 -10.859 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.652 -9.568 -4.744 1.00 0.00 H new ATOM 555 N SER A 35 0.520 -10.492 -6.878 1.00 0.00 N ATOM 556 CA SER A 35 -0.673 -9.909 -7.559 1.00 0.00 C ATOM 557 C SER A 35 -1.924 -10.710 -7.204 1.00 0.00 C ATOM 558 O SER A 35 -2.962 -10.158 -6.892 1.00 0.00 O ATOM 559 CB SER A 35 -0.370 -10.015 -9.053 1.00 0.00 C ATOM 560 OG SER A 35 -1.568 -9.810 -9.790 1.00 0.00 O ATOM 0 H SER A 35 1.363 -10.543 -7.449 1.00 0.00 H new ATOM 0 HA SER A 35 -0.860 -8.879 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.377 -9.274 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.049 -10.995 -9.282 1.00 0.00 H new ATOM 0 HG SER A 35 -1.377 -9.876 -10.749 1.00 0.00 H new ATOM 566 N GLN A 36 -1.832 -12.007 -7.238 1.00 0.00 N ATOM 567 CA GLN A 36 -3.015 -12.845 -6.889 1.00 0.00 C ATOM 568 C GLN A 36 -3.332 -12.678 -5.406 1.00 0.00 C ATOM 569 O GLN A 36 -4.460 -12.447 -5.019 1.00 0.00 O ATOM 570 CB GLN A 36 -2.595 -14.285 -7.190 1.00 0.00 C ATOM 571 CG GLN A 36 -3.839 -15.172 -7.281 1.00 0.00 C ATOM 572 CD GLN A 36 -4.086 -15.558 -8.740 1.00 0.00 C ATOM 573 OE1 GLN A 36 -3.535 -14.958 -9.641 1.00 0.00 O ATOM 574 NE2 GLN A 36 -4.895 -16.544 -9.013 1.00 0.00 N ATOM 0 H GLN A 36 -0.991 -12.525 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.907 -12.565 -7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.038 -14.324 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.930 -14.652 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.705 -16.068 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.705 -14.644 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.358 -17.048 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.065 -16.811 -9.983 1.00 0.00 H new ATOM 583 N GLU A 37 -2.336 -12.785 -4.577 1.00 0.00 N ATOM 584 CA GLU A 37 -2.558 -12.623 -3.114 1.00 0.00 C ATOM 585 C GLU A 37 -3.031 -11.198 -2.818 1.00 0.00 C ATOM 586 O GLU A 37 -3.689 -10.945 -1.828 1.00 0.00 O ATOM 587 CB GLU A 37 -1.193 -12.882 -2.476 1.00 0.00 C ATOM 588 CG GLU A 37 -0.837 -14.364 -2.613 1.00 0.00 C ATOM 589 CD GLU A 37 0.626 -14.576 -2.222 1.00 0.00 C ATOM 590 OE1 GLU A 37 0.907 -14.574 -1.035 1.00 0.00 O ATOM 591 OE2 GLU A 37 1.440 -14.737 -3.116 1.00 0.00 O ATOM 0 H GLU A 37 -1.372 -12.979 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.319 -13.301 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.432 -12.268 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.212 -12.598 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.485 -14.965 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.002 -14.695 -3.638 1.00 0.00 H new ATOM 598 N LEU A 38 -2.703 -10.267 -3.672 1.00 0.00 N ATOM 599 CA LEU A 38 -3.138 -8.859 -3.443 1.00 0.00 C ATOM 600 C LEU A 38 -4.645 -8.734 -3.673 1.00 0.00 C ATOM 601 O LEU A 38 -5.309 -7.911 -3.076 1.00 0.00 O ATOM 602 CB LEU A 38 -2.366 -8.032 -4.471 1.00 0.00 C ATOM 603 CG LEU A 38 -1.114 -7.443 -3.818 1.00 0.00 C ATOM 604 CD1 LEU A 38 -0.078 -7.122 -4.896 1.00 0.00 C ATOM 605 CD2 LEU A 38 -1.487 -6.160 -3.072 1.00 0.00 C ATOM 0 H LEU A 38 -2.153 -10.420 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.941 -8.524 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.087 -8.656 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.997 -7.232 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.695 -8.165 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.814 -6.702 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.187 -8.035 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.495 -6.400 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.597 -5.738 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.905 -5.439 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.226 -6.388 -2.304 1.00 0.00 H new ATOM 617 N VAL A 39 -5.189 -9.550 -4.535 1.00 0.00 N ATOM 618 CA VAL A 39 -6.654 -9.481 -4.802 1.00 0.00 C ATOM 619 C VAL A 39 -7.434 -9.943 -3.569 1.00 0.00 C ATOM 620 O VAL A 39 -8.574 -9.574 -3.369 1.00 0.00 O ATOM 621 CB VAL A 39 -6.887 -10.434 -5.974 1.00 0.00 C ATOM 622 CG1 VAL A 39 -8.381 -10.745 -6.090 1.00 0.00 C ATOM 623 CG2 VAL A 39 -6.401 -9.778 -7.268 1.00 0.00 C ATOM 0 H VAL A 39 -4.683 -10.260 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.988 -8.469 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.336 -11.359 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.547 -11.425 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.728 -11.212 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.933 -9.820 -6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.567 -10.457 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.953 -8.853 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.337 -9.556 -7.186 1.00 0.00 H new ATOM 633 N SER A 40 -6.826 -10.747 -2.739 1.00 0.00 N ATOM 634 CA SER A 40 -7.531 -11.232 -1.518 1.00 0.00 C ATOM 635 C SER A 40 -7.528 -10.144 -0.442 1.00 0.00 C ATOM 636 O SER A 40 -8.401 -10.087 0.401 1.00 0.00 O ATOM 637 CB SER A 40 -6.730 -12.447 -1.055 1.00 0.00 C ATOM 638 OG SER A 40 -7.625 -13.494 -0.703 1.00 0.00 O ATOM 0 H SER A 40 -5.872 -11.089 -2.854 1.00 0.00 H new ATOM 0 HA SER A 40 -8.574 -11.483 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.059 -12.778 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.108 -12.182 -0.200 1.00 0.00 H new ATOM 0 HG SER A 40 -7.114 -14.276 -0.407 1.00 0.00 H new ATOM 644 N TYR A 41 -6.552 -9.278 -0.465 1.00 0.00 N ATOM 645 CA TYR A 41 -6.493 -8.193 0.556 1.00 0.00 C ATOM 646 C TYR A 41 -7.457 -7.065 0.181 1.00 0.00 C ATOM 647 O TYR A 41 -7.908 -6.314 1.024 1.00 0.00 O ATOM 648 CB TYR A 41 -5.047 -7.696 0.523 1.00 0.00 C ATOM 649 CG TYR A 41 -4.904 -6.502 1.435 1.00 0.00 C ATOM 650 CD1 TYR A 41 -5.369 -5.247 1.022 1.00 0.00 C ATOM 651 CD2 TYR A 41 -4.306 -6.648 2.692 1.00 0.00 C ATOM 652 CE1 TYR A 41 -5.236 -4.139 1.867 1.00 0.00 C ATOM 653 CE2 TYR A 41 -4.173 -5.539 3.537 1.00 0.00 C ATOM 654 CZ TYR A 41 -4.638 -4.285 3.124 1.00 0.00 C ATOM 655 OH TYR A 41 -4.507 -3.192 3.957 1.00 0.00 O ATOM 0 H TYR A 41 -5.793 -9.275 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.781 -8.542 1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.371 -8.491 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.768 -7.425 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.830 -5.134 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.947 -7.616 3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.595 -3.171 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.712 -5.651 4.507 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.072 -3.467 4.791 1.00 0.00 H new ATOM 665 N THR A 42 -7.776 -6.939 -1.078 1.00 0.00 N ATOM 666 CA THR A 42 -8.711 -5.860 -1.508 1.00 0.00 C ATOM 667 C THR A 42 -10.156 -6.367 -1.468 1.00 0.00 C ATOM 668 O THR A 42 -11.093 -5.610 -1.629 1.00 0.00 O ATOM 669 CB THR A 42 -8.299 -5.524 -2.941 1.00 0.00 C ATOM 670 OG1 THR A 42 -6.900 -5.726 -3.089 1.00 0.00 O ATOM 671 CG2 THR A 42 -8.640 -4.065 -3.245 1.00 0.00 C ATOM 0 H THR A 42 -7.430 -7.537 -1.828 1.00 0.00 H new ATOM 0 HA THR A 42 -8.662 -4.987 -0.857 1.00 0.00 H new ATOM 0 HB THR A 42 -8.836 -6.171 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.634 -5.513 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.345 -3.828 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.713 -3.911 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.105 -3.415 -2.553 1.00 0.00 H new ATOM 679 N ILE A 43 -10.341 -7.640 -1.256 1.00 0.00 N ATOM 680 CA ILE A 43 -11.725 -8.193 -1.206 1.00 0.00 C ATOM 681 C ILE A 43 -12.625 -7.280 -0.373 1.00 0.00 C ATOM 682 O ILE A 43 -13.745 -6.983 -0.740 1.00 0.00 O ATOM 683 CB ILE A 43 -11.577 -9.570 -0.550 1.00 0.00 C ATOM 684 CG1 ILE A 43 -12.784 -10.439 -0.911 1.00 0.00 C ATOM 685 CG2 ILE A 43 -11.490 -9.427 0.972 1.00 0.00 C ATOM 686 CD1 ILE A 43 -12.507 -11.179 -2.221 1.00 0.00 C ATOM 0 H ILE A 43 -9.595 -8.322 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.183 -8.266 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.663 -10.038 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.983 -11.154 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.675 -9.819 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.385 -10.413 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.626 -8.815 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.397 -8.951 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -13.367 -11.798 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.330 -10.456 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.627 -11.811 -2.103 1.00 0.00 H new ATOM 698 N LYS A 44 -12.137 -6.836 0.748 1.00 0.00 N ATOM 699 CA LYS A 44 -12.953 -5.940 1.618 1.00 0.00 C ATOM 700 C LYS A 44 -12.724 -4.480 1.231 1.00 0.00 C ATOM 701 O LYS A 44 -12.958 -3.573 2.005 1.00 0.00 O ATOM 702 CB LYS A 44 -12.451 -6.202 3.036 1.00 0.00 C ATOM 703 CG LYS A 44 -13.498 -5.731 4.046 1.00 0.00 C ATOM 704 CD LYS A 44 -12.915 -4.601 4.897 1.00 0.00 C ATOM 705 CE LYS A 44 -13.469 -4.695 6.321 1.00 0.00 C ATOM 706 NZ LYS A 44 -12.266 -4.725 7.199 1.00 0.00 N ATOM 0 H LYS A 44 -11.206 -7.054 1.103 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.022 -6.131 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.253 -7.265 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.510 -5.678 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.391 -5.385 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.802 -6.561 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.827 -4.668 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.168 -3.635 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.107 -3.842 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.075 -5.591 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.564 -4.789 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.681 -5.551 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.712 -3.856 7.059 1.00 0.00 H new ATOM 779 N PRO A 49 -18.831 -2.280 -5.695 1.00 0.00 N ATOM 780 CA PRO A 49 -19.671 -3.289 -5.004 1.00 0.00 C ATOM 781 C PRO A 49 -20.979 -3.507 -5.766 1.00 0.00 C ATOM 782 O PRO A 49 -21.503 -4.601 -5.823 1.00 0.00 O ATOM 783 CB PRO A 49 -19.932 -2.661 -3.638 1.00 0.00 C ATOM 784 CG PRO A 49 -19.777 -1.189 -3.854 1.00 0.00 C ATOM 785 CD PRO A 49 -18.775 -1.013 -4.965 1.00 0.00 C ATOM 0 HA PRO A 49 -19.197 -4.268 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.931 -2.904 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.225 -3.027 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -20.732 -0.735 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -19.433 -0.699 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.034 -0.171 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -17.776 -0.821 -4.575 1.00 0.00 H new ATOM 793 N ILE A 50 -21.507 -2.470 -6.353 1.00 0.00 N ATOM 794 CA ILE A 50 -22.781 -2.614 -7.115 1.00 0.00 C ATOM 795 C ILE A 50 -22.568 -3.526 -8.326 1.00 0.00 C ATOM 796 O ILE A 50 -23.485 -4.165 -8.805 1.00 0.00 O ATOM 797 CB ILE A 50 -23.141 -1.195 -7.561 1.00 0.00 C ATOM 798 CG1 ILE A 50 -23.759 -0.434 -6.385 1.00 0.00 C ATOM 799 CG2 ILE A 50 -24.150 -1.253 -8.711 1.00 0.00 C ATOM 800 CD1 ILE A 50 -22.765 -0.391 -5.223 1.00 0.00 C ATOM 0 H ILE A 50 -21.113 -1.529 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 50 -23.574 -3.062 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.239 -0.685 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -24.020 0.579 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -24.682 -0.920 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -24.403 -0.240 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -23.714 -1.795 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -25.052 -1.766 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.206 0.151 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -22.526 -1.408 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -21.854 0.114 -5.542 1.00 0.00 H new ATOM 812 N GLU A 51 -21.365 -3.594 -8.824 1.00 0.00 N ATOM 813 CA GLU A 51 -21.091 -4.465 -9.999 1.00 0.00 C ATOM 814 C GLU A 51 -20.790 -5.891 -9.527 1.00 0.00 C ATOM 815 O GLU A 51 -20.975 -6.849 -10.252 1.00 0.00 O ATOM 816 CB GLU A 51 -19.867 -3.838 -10.674 1.00 0.00 C ATOM 817 CG GLU A 51 -19.154 -4.881 -11.533 1.00 0.00 C ATOM 818 CD GLU A 51 -20.123 -5.433 -12.580 1.00 0.00 C ATOM 819 OE1 GLU A 51 -21.235 -4.935 -12.650 1.00 0.00 O ATOM 820 OE2 GLU A 51 -19.739 -6.344 -13.294 1.00 0.00 O ATOM 0 H GLU A 51 -20.558 -3.082 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.936 -4.531 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.174 -2.994 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.184 -3.448 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.289 -4.434 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.781 -5.690 -10.905 1.00 0.00 H new ATOM 827 N TYR A 52 -20.329 -6.039 -8.316 1.00 0.00 N ATOM 828 CA TYR A 52 -20.016 -7.398 -7.794 1.00 0.00 C ATOM 829 C TYR A 52 -21.234 -7.969 -7.052 1.00 0.00 C ATOM 830 O TYR A 52 -21.337 -9.160 -6.838 1.00 0.00 O ATOM 831 CB TYR A 52 -18.825 -7.181 -6.847 1.00 0.00 C ATOM 832 CG TYR A 52 -18.841 -8.204 -5.736 1.00 0.00 C ATOM 833 CD1 TYR A 52 -19.741 -8.064 -4.675 1.00 0.00 C ATOM 834 CD2 TYR A 52 -17.956 -9.289 -5.766 1.00 0.00 C ATOM 835 CE1 TYR A 52 -19.759 -9.009 -3.642 1.00 0.00 C ATOM 836 CE2 TYR A 52 -17.974 -10.234 -4.733 1.00 0.00 C ATOM 837 CZ TYR A 52 -18.874 -10.093 -3.671 1.00 0.00 C ATOM 838 OH TYR A 52 -18.892 -11.025 -2.653 1.00 0.00 O ATOM 0 H TYR A 52 -20.155 -5.274 -7.664 1.00 0.00 H new ATOM 0 HA TYR A 52 -19.776 -8.114 -8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.891 -7.255 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.866 -6.177 -6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -20.423 -7.227 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.260 -9.397 -6.585 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -20.455 -8.902 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.293 -11.072 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.216 -11.713 -2.827 1.00 0.00 H new ATOM 848 N LEU A 53 -22.155 -7.130 -6.659 1.00 0.00 N ATOM 849 CA LEU A 53 -23.357 -7.633 -5.933 1.00 0.00 C ATOM 850 C LEU A 53 -24.373 -8.201 -6.926 1.00 0.00 C ATOM 851 O LEU A 53 -25.073 -9.153 -6.639 1.00 0.00 O ATOM 852 CB LEU A 53 -23.931 -6.410 -5.219 1.00 0.00 C ATOM 853 CG LEU A 53 -24.492 -6.828 -3.859 1.00 0.00 C ATOM 854 CD1 LEU A 53 -23.556 -6.348 -2.750 1.00 0.00 C ATOM 855 CD2 LEU A 53 -25.874 -6.203 -3.665 1.00 0.00 C ATOM 0 H LEU A 53 -22.127 -6.121 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 53 -23.113 -8.434 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -23.155 -5.655 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -24.716 -5.958 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 53 -24.574 -7.914 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.957 -6.646 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.571 -6.793 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -23.472 -5.262 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -26.275 -6.500 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -25.791 -5.117 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -26.542 -6.546 -4.455 1.00 0.00 H new ATOM 867 N LEU A 54 -24.457 -7.625 -8.092 1.00 0.00 N ATOM 868 CA LEU A 54 -25.427 -8.130 -9.105 1.00 0.00 C ATOM 869 C LEU A 54 -24.990 -9.506 -9.612 1.00 0.00 C ATOM 870 O LEU A 54 -25.805 -10.348 -9.933 1.00 0.00 O ATOM 871 CB LEU A 54 -25.390 -7.104 -10.238 1.00 0.00 C ATOM 872 CG LEU A 54 -26.655 -7.234 -11.087 1.00 0.00 C ATOM 873 CD1 LEU A 54 -27.450 -5.929 -11.023 1.00 0.00 C ATOM 874 CD2 LEU A 54 -26.266 -7.523 -12.538 1.00 0.00 C ATOM 0 H LEU A 54 -23.896 -6.826 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 54 -26.430 -8.245 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -25.317 -6.097 -9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -24.507 -7.262 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 54 -27.267 -8.051 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -28.352 -6.022 -11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -27.727 -5.722 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.839 -5.112 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -27.167 -7.616 -13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -25.654 -6.706 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -25.700 -8.453 -12.585 1.00 0.00 H new ATOM 886 N GLU A 55 -23.710 -9.741 -9.681 1.00 0.00 N ATOM 887 CA GLU A 55 -23.219 -11.064 -10.162 1.00 0.00 C ATOM 888 C GLU A 55 -23.378 -12.112 -9.059 1.00 0.00 C ATOM 889 O GLU A 55 -23.501 -13.292 -9.322 1.00 0.00 O ATOM 890 CB GLU A 55 -21.741 -10.844 -10.489 1.00 0.00 C ATOM 891 CG GLU A 55 -21.329 -11.770 -11.634 1.00 0.00 C ATOM 892 CD GLU A 55 -20.830 -13.098 -11.063 1.00 0.00 C ATOM 893 OE1 GLU A 55 -20.243 -13.079 -9.994 1.00 0.00 O ATOM 894 OE2 GLU A 55 -21.043 -14.114 -11.706 1.00 0.00 O ATOM 0 H GLU A 55 -22.981 -9.075 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.775 -11.425 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -21.570 -9.804 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -21.129 -11.042 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.176 -11.943 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.546 -11.302 -12.231 1.00 0.00 H new ATOM 901 N GLN A 56 -23.377 -11.689 -7.824 1.00 0.00 N ATOM 902 CA GLN A 56 -23.531 -12.659 -6.704 1.00 0.00 C ATOM 903 C GLN A 56 -25.010 -12.993 -6.496 1.00 0.00 C ATOM 904 O GLN A 56 -25.353 -13.981 -5.877 1.00 0.00 O ATOM 905 CB GLN A 56 -22.966 -11.941 -5.478 1.00 0.00 C ATOM 906 CG GLN A 56 -22.878 -12.920 -4.305 1.00 0.00 C ATOM 907 CD GLN A 56 -23.470 -12.273 -3.052 1.00 0.00 C ATOM 908 OE1 GLN A 56 -23.962 -11.163 -3.103 1.00 0.00 O ATOM 909 NE2 GLN A 56 -23.441 -12.923 -1.922 1.00 0.00 N ATOM 0 H GLN A 56 -23.276 -10.714 -7.543 1.00 0.00 H new ATOM 0 HA GLN A 56 -23.016 -13.600 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -21.979 -11.538 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.602 -11.097 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.417 -13.837 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -21.839 -13.198 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.028 -13.855 -1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -23.831 -12.500 -1.080 1.00 0.00 H new ATOM 918 N ILE A 57 -25.890 -12.178 -7.013 1.00 0.00 N ATOM 919 CA ILE A 57 -27.344 -12.451 -6.847 1.00 0.00 C ATOM 920 C ILE A 57 -27.838 -13.351 -7.990 1.00 0.00 C ATOM 921 O ILE A 57 -28.762 -14.124 -7.829 1.00 0.00 O ATOM 922 CB ILE A 57 -28.002 -11.057 -6.864 1.00 0.00 C ATOM 923 CG1 ILE A 57 -28.859 -10.893 -5.606 1.00 0.00 C ATOM 924 CG2 ILE A 57 -28.886 -10.883 -8.100 1.00 0.00 C ATOM 925 CD1 ILE A 57 -28.022 -10.253 -4.497 1.00 0.00 C ATOM 0 H ILE A 57 -25.664 -11.336 -7.542 1.00 0.00 H new ATOM 0 HA ILE A 57 -27.586 -12.984 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 57 -27.216 -10.302 -6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -29.728 -10.273 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -29.234 -11.863 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -29.338 -9.891 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -28.280 -10.994 -8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -29.671 -11.639 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -28.633 -10.136 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -27.167 -10.891 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -27.669 -9.275 -4.825 1.00 0.00 H new ATOM 937 N GLN A 58 -27.226 -13.255 -9.138 1.00 0.00 N ATOM 938 CA GLN A 58 -27.656 -14.106 -10.284 1.00 0.00 C ATOM 939 C GLN A 58 -27.061 -15.509 -10.148 1.00 0.00 C ATOM 940 O GLN A 58 -27.594 -16.473 -10.660 1.00 0.00 O ATOM 941 CB GLN A 58 -27.103 -13.405 -11.526 1.00 0.00 C ATOM 942 CG GLN A 58 -28.201 -13.307 -12.588 1.00 0.00 C ATOM 943 CD GLN A 58 -29.426 -12.610 -11.994 1.00 0.00 C ATOM 944 OE1 GLN A 58 -29.298 -11.750 -11.145 1.00 0.00 O ATOM 945 NE2 GLN A 58 -30.617 -12.948 -12.406 1.00 0.00 N ATOM 0 H GLN A 58 -26.448 -12.625 -9.332 1.00 0.00 H new ATOM 0 HA GLN A 58 -28.739 -14.223 -10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -26.744 -12.409 -11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -26.250 -13.958 -11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -27.837 -12.751 -13.452 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -28.471 -14.303 -12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -30.724 -13.670 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -31.441 -12.490 -12.015 1.00 0.00 H new ATOM 954 N ASN A 59 -25.960 -15.630 -9.458 1.00 0.00 N ATOM 955 CA ASN A 59 -25.331 -16.970 -9.285 1.00 0.00 C ATOM 956 C ASN A 59 -25.960 -17.696 -8.095 1.00 0.00 C ATOM 957 O ASN A 59 -26.004 -18.910 -8.047 1.00 0.00 O ATOM 958 CB ASN A 59 -23.853 -16.683 -9.020 1.00 0.00 C ATOM 959 CG ASN A 59 -22.990 -17.643 -9.838 1.00 0.00 C ATOM 960 OD1 ASN A 59 -21.921 -17.284 -10.291 1.00 0.00 O ATOM 961 ND2 ASN A 59 -23.410 -18.860 -10.051 1.00 0.00 N ATOM 0 H ASN A 59 -25.469 -14.859 -9.006 1.00 0.00 H new ATOM 0 HA ASN A 59 -25.470 -17.609 -10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -23.619 -15.652 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -23.635 -16.797 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -22.841 -19.508 -10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -24.307 -19.164 -9.672 1.00 0.00 H new ATOM 968 N LEU A 60 -26.451 -16.963 -7.134 1.00 0.00 N ATOM 969 CA LEU A 60 -27.079 -17.610 -5.947 1.00 0.00 C ATOM 970 C LEU A 60 -28.439 -18.201 -6.328 1.00 0.00 C ATOM 971 O LEU A 60 -28.901 -19.154 -5.733 1.00 0.00 O ATOM 972 CB LEU A 60 -27.250 -16.485 -4.927 1.00 0.00 C ATOM 973 CG LEU A 60 -26.808 -16.975 -3.546 1.00 0.00 C ATOM 974 CD1 LEU A 60 -27.610 -18.220 -3.165 1.00 0.00 C ATOM 975 CD2 LEU A 60 -25.317 -17.321 -3.584 1.00 0.00 C ATOM 0 H LEU A 60 -26.445 -15.943 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 60 -26.475 -18.428 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -26.659 -15.618 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -28.291 -16.165 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 60 -26.983 -16.192 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -27.295 -18.569 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -28.672 -17.975 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -27.435 -19.005 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -24.999 -17.670 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -25.144 -18.105 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -24.745 -16.434 -3.856 1.00 0.00 H new