USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 302 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.044) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 31:sc= 0.121 USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.411 (180deg=-0.769) USER MOD Single : A 46 THR OG1 : rot -159:sc= -1.69 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.486 19.722 -17.110 1.00 72.41 N ATOM 248 CA GLU A 16 -9.223 20.925 -17.890 1.00 63.14 C ATOM 249 C GLU A 16 -9.609 22.177 -17.107 1.00 62.54 C ATOM 250 O GLU A 16 -8.747 22.949 -16.687 1.00 52.13 O ATOM 251 CB GLU A 16 -9.991 20.880 -19.213 1.00 43.30 C ATOM 252 CG GLU A 16 -9.115 21.109 -20.433 1.00 50.44 C ATOM 253 CD GLU A 16 -8.514 22.501 -20.468 1.00 15.34 C ATOM 254 OE1 GLU A 16 -8.785 23.288 -19.536 1.00 65.30 O ATOM 255 OE2 GLU A 16 -7.774 22.804 -21.427 1.00 22.24 O ATOM 0 HA GLU A 16 -8.154 20.964 -18.100 1.00 63.14 H new ATOM 0 HB2 GLU A 16 -10.482 19.911 -19.306 1.00 43.30 H new ATOM 0 HB3 GLU A 16 -10.777 21.635 -19.193 1.00 43.30 H new ATOM 0 HG2 GLU A 16 -8.313 20.371 -20.443 1.00 50.44 H new ATOM 0 HG3 GLU A 16 -9.706 20.950 -21.335 1.00 50.44 H new ATOM 262 N ARG A 17 -10.910 22.370 -16.916 1.00 24.31 N ATOM 263 CA ARG A 17 -11.411 23.528 -16.185 1.00 63.44 C ATOM 264 C ARG A 17 -12.917 23.423 -15.968 1.00 55.24 C ATOM 265 O ARG A 17 -13.594 22.624 -16.617 1.00 2.04 O ATOM 266 CB ARG A 17 -11.082 24.816 -16.942 1.00 23.02 C ATOM 267 CG ARG A 17 -12.171 25.250 -17.908 1.00 55.04 C ATOM 268 CD ARG A 17 -12.410 24.203 -18.985 1.00 51.44 C ATOM 269 NE ARG A 17 -11.347 24.196 -19.987 1.00 1.14 N ATOM 270 CZ ARG A 17 -11.161 25.172 -20.868 1.00 40.23 C ATOM 271 NH1 ARG A 17 -11.963 26.228 -20.872 1.00 43.21 N ATOM 272 NH2 ARG A 17 -10.171 25.093 -21.748 1.00 40.33 N ATOM 0 H ARG A 17 -11.636 21.740 -17.257 1.00 24.31 H new ATOM 0 HA ARG A 17 -10.922 23.552 -15.211 1.00 63.44 H new ATOM 0 HB2 ARG A 17 -10.907 25.616 -16.222 1.00 23.02 H new ATOM 0 HB3 ARG A 17 -10.153 24.675 -17.495 1.00 23.02 H new ATOM 0 HG2 ARG A 17 -13.096 25.427 -17.359 1.00 55.04 H new ATOM 0 HG3 ARG A 17 -11.891 26.195 -18.373 1.00 55.04 H new ATOM 0 HD2 ARG A 17 -12.480 23.218 -18.524 1.00 51.44 H new ATOM 0 HD3 ARG A 17 -13.366 24.396 -19.472 1.00 51.44 H new ATOM 0 HE ARG A 17 -10.713 23.398 -20.011 1.00 1.14 H new ATOM 0 HH11 ARG A 17 -12.725 26.292 -20.197 1.00 43.21 H new ATOM 0 HH12 ARG A 17 -11.818 26.976 -21.550 1.00 43.21 H new ATOM 0 HH21 ARG A 17 -9.552 24.282 -21.748 1.00 40.33 H new ATOM 0 HH22 ARG A 17 -10.029 25.843 -22.424 1.00 40.33 H new ATOM 286 N ILE A 18 -13.436 24.235 -15.053 1.00 62.01 N ATOM 287 CA ILE A 18 -14.862 24.234 -14.752 1.00 21.05 C ATOM 288 C ILE A 18 -15.666 24.843 -15.895 1.00 40.11 C ATOM 289 O ILE A 18 -15.580 26.042 -16.159 1.00 45.43 O ATOM 290 CB ILE A 18 -15.164 25.010 -13.456 1.00 41.21 C ATOM 291 CG1 ILE A 18 -14.307 24.478 -12.305 1.00 41.45 C ATOM 292 CG2 ILE A 18 -16.643 24.911 -13.112 1.00 5.41 C ATOM 293 CD1 ILE A 18 -14.864 23.226 -11.666 1.00 61.20 C ATOM 0 H ILE A 18 -12.890 24.902 -14.507 1.00 62.01 H new ATOM 0 HA ILE A 18 -15.156 23.193 -14.619 1.00 21.05 H new ATOM 0 HB ILE A 18 -14.917 26.060 -13.613 1.00 41.21 H new ATOM 0 HG12 ILE A 18 -13.303 24.271 -12.676 1.00 41.45 H new ATOM 0 HG13 ILE A 18 -14.213 25.253 -11.545 1.00 41.45 H new ATOM 0 HG21 ILE A 18 -16.841 25.464 -12.194 1.00 5.41 H new ATOM 0 HG22 ILE A 18 -17.235 25.333 -13.925 1.00 5.41 H new ATOM 0 HG23 ILE A 18 -16.914 23.865 -12.971 1.00 5.41 H new ATOM 0 HD11 ILE A 18 -14.206 22.906 -10.859 1.00 61.20 H new ATOM 0 HD12 ILE A 18 -15.856 23.433 -11.265 1.00 61.20 H new ATOM 0 HD13 ILE A 18 -14.932 22.436 -12.413 1.00 61.20 H new ATOM 305 N VAL A 19 -16.450 24.009 -16.570 1.00 71.41 N ATOM 306 CA VAL A 19 -17.273 24.465 -17.684 1.00 21.10 C ATOM 307 C VAL A 19 -18.258 25.538 -17.236 1.00 14.24 C ATOM 308 O VAL A 19 -18.294 26.635 -17.794 1.00 74.43 O ATOM 309 CB VAL A 19 -18.054 23.299 -18.319 1.00 50.32 C ATOM 310 CG1 VAL A 19 -18.695 23.736 -19.628 1.00 22.03 C ATOM 311 CG2 VAL A 19 -17.141 22.102 -18.537 1.00 2.34 C ATOM 0 H VAL A 19 -16.533 23.013 -16.365 1.00 71.41 H new ATOM 0 HA VAL A 19 -16.595 24.886 -18.427 1.00 21.10 H new ATOM 0 HB VAL A 19 -18.848 23.001 -17.634 1.00 50.32 H new ATOM 0 HG11 VAL A 19 -19.242 22.899 -20.062 1.00 22.03 H new ATOM 0 HG12 VAL A 19 -19.382 24.561 -19.439 1.00 22.03 H new ATOM 0 HG13 VAL A 19 -17.920 24.062 -20.322 1.00 22.03 H new ATOM 0 HG21 VAL A 19 -17.710 21.288 -18.986 1.00 2.34 H new ATOM 0 HG22 VAL A 19 -16.324 22.384 -19.201 1.00 2.34 H new ATOM 0 HG23 VAL A 19 -16.734 21.776 -17.580 1.00 2.34 H new ATOM 321 N ARG A 20 -19.056 25.215 -16.223 1.00 55.12 N ATOM 322 CA ARG A 20 -20.044 26.152 -15.700 1.00 23.53 C ATOM 323 C ARG A 20 -20.525 25.718 -14.318 1.00 51.01 C ATOM 324 O ARG A 20 -20.001 24.768 -13.736 1.00 14.12 O ATOM 325 CB ARG A 20 -21.233 26.259 -16.656 1.00 32.14 C ATOM 326 CG ARG A 20 -21.923 24.931 -16.921 1.00 31.10 C ATOM 327 CD ARG A 20 -21.548 24.371 -18.284 1.00 54.13 C ATOM 328 NE ARG A 20 -22.712 23.864 -19.006 1.00 70.53 N ATOM 329 CZ ARG A 20 -22.765 23.752 -20.329 1.00 31.12 C ATOM 330 NH1 ARG A 20 -21.726 24.110 -21.070 1.00 24.31 N ATOM 331 NH2 ARG A 20 -23.860 23.281 -20.913 1.00 24.13 N ATOM 0 H ARG A 20 -19.038 24.312 -15.748 1.00 55.12 H new ATOM 0 HA ARG A 20 -19.570 27.130 -15.611 1.00 23.53 H new ATOM 0 HB2 ARG A 20 -21.959 26.960 -16.243 1.00 32.14 H new ATOM 0 HB3 ARG A 20 -20.891 26.676 -17.603 1.00 32.14 H new ATOM 0 HG2 ARG A 20 -21.649 24.216 -16.145 1.00 31.10 H new ATOM 0 HG3 ARG A 20 -23.003 25.064 -16.866 1.00 31.10 H new ATOM 0 HD2 ARG A 20 -21.065 25.149 -18.875 1.00 54.13 H new ATOM 0 HD3 ARG A 20 -20.821 23.568 -18.159 1.00 54.13 H new ATOM 0 HE ARG A 20 -23.529 23.580 -18.465 1.00 70.53 H new ATOM 0 HH11 ARG A 20 -20.883 24.473 -20.625 1.00 24.31 H new ATOM 0 HH12 ARG A 20 -21.770 24.023 -22.085 1.00 24.31 H new ATOM 0 HH21 ARG A 20 -24.662 23.005 -20.346 1.00 24.13 H new ATOM 0 HH22 ARG A 20 -23.900 23.195 -21.929 1.00 24.13 H new ATOM 345 N LYS A 21 -21.526 26.421 -13.799 1.00 3.15 N ATOM 346 CA LYS A 21 -22.079 26.110 -12.486 1.00 74.11 C ATOM 347 C LYS A 21 -23.547 26.519 -12.404 1.00 24.04 C ATOM 348 O LYS A 21 -24.006 27.377 -13.157 1.00 40.33 O ATOM 349 CB LYS A 21 -21.279 26.819 -11.391 1.00 31.40 C ATOM 350 CG LYS A 21 -21.480 28.324 -11.369 1.00 22.05 C ATOM 351 CD LYS A 21 -20.985 28.933 -10.068 1.00 5.24 C ATOM 352 CE LYS A 21 -21.934 30.007 -9.558 1.00 63.10 C ATOM 353 NZ LYS A 21 -21.252 30.958 -8.637 1.00 51.22 N ATOM 0 H LYS A 21 -21.971 27.210 -14.268 1.00 3.15 H new ATOM 0 HA LYS A 21 -22.011 25.032 -12.336 1.00 74.11 H new ATOM 0 HB2 LYS A 21 -21.563 26.409 -10.422 1.00 31.40 H new ATOM 0 HB3 LYS A 21 -20.219 26.604 -11.530 1.00 31.40 H new ATOM 0 HG2 LYS A 21 -20.950 28.775 -12.208 1.00 22.05 H new ATOM 0 HG3 LYS A 21 -22.538 28.553 -11.500 1.00 22.05 H new ATOM 0 HD2 LYS A 21 -20.881 28.151 -9.316 1.00 5.24 H new ATOM 0 HD3 LYS A 21 -19.995 29.363 -10.220 1.00 5.24 H new ATOM 0 HE2 LYS A 21 -22.350 30.555 -10.403 1.00 63.10 H new ATOM 0 HE3 LYS A 21 -22.770 29.537 -9.041 1.00 63.10 H new ATOM 0 HZ1 LYS A 21 -21.932 31.674 -8.312 1.00 51.22 H new ATOM 0 HZ2 LYS A 21 -20.877 30.439 -7.818 1.00 51.22 H new ATOM 0 HZ3 LYS A 21 -20.470 31.426 -9.138 1.00 51.22 H new ATOM 367 N LYS A 22 -24.278 25.900 -11.483 1.00 3.44 N ATOM 368 CA LYS A 22 -25.692 26.202 -11.299 1.00 34.52 C ATOM 369 C LYS A 22 -26.236 25.518 -10.048 1.00 52.32 C ATOM 370 O LYS A 22 -25.816 24.414 -9.701 1.00 11.24 O ATOM 371 CB LYS A 22 -26.493 25.757 -12.525 1.00 30.42 C ATOM 372 CG LYS A 22 -26.678 24.252 -12.617 1.00 61.14 C ATOM 373 CD LYS A 22 -28.120 23.850 -12.356 1.00 3.01 C ATOM 374 CE LYS A 22 -28.817 23.413 -13.635 1.00 32.00 C ATOM 375 NZ LYS A 22 -30.294 23.586 -13.549 1.00 3.05 N ATOM 0 H LYS A 22 -23.914 25.186 -10.852 1.00 3.44 H new ATOM 0 HA LYS A 22 -25.795 27.280 -11.177 1.00 34.52 H new ATOM 0 HB2 LYS A 22 -27.473 26.234 -12.501 1.00 30.42 H new ATOM 0 HB3 LYS A 22 -25.989 26.108 -13.425 1.00 30.42 H new ATOM 0 HG2 LYS A 22 -26.377 23.907 -13.606 1.00 61.14 H new ATOM 0 HG3 LYS A 22 -26.026 23.760 -11.896 1.00 61.14 H new ATOM 0 HD2 LYS A 22 -28.147 23.037 -11.630 1.00 3.01 H new ATOM 0 HD3 LYS A 22 -28.659 24.689 -11.915 1.00 3.01 H new ATOM 0 HE2 LYS A 22 -28.432 23.992 -14.474 1.00 32.00 H new ATOM 0 HE3 LYS A 22 -28.585 22.367 -13.836 1.00 32.00 H new ATOM 0 HZ1 LYS A 22 -30.732 23.277 -14.440 1.00 3.05 H new ATOM 0 HZ2 LYS A 22 -30.665 23.014 -12.764 1.00 3.05 H new ATOM 0 HZ3 LYS A 22 -30.517 24.588 -13.383 1.00 3.05 H new ATOM 389 N ILE A 23 -27.173 26.181 -9.377 1.00 65.34 N ATOM 390 CA ILE A 23 -27.775 25.635 -8.167 1.00 42.23 C ATOM 391 C ILE A 23 -29.235 25.264 -8.400 1.00 33.54 C ATOM 392 O ILE A 23 -29.919 25.872 -9.223 1.00 64.03 O ATOM 393 CB ILE A 23 -27.691 26.633 -6.997 1.00 44.34 C ATOM 394 CG1 ILE A 23 -28.825 27.657 -7.089 1.00 24.53 C ATOM 395 CG2 ILE A 23 -26.339 27.332 -6.993 1.00 61.50 C ATOM 396 CD1 ILE A 23 -30.045 27.280 -6.279 1.00 31.25 C ATOM 0 H ILE A 23 -27.531 27.096 -9.651 1.00 65.34 H new ATOM 0 HA ILE A 23 -27.211 24.738 -7.910 1.00 42.23 H new ATOM 0 HB ILE A 23 -27.797 26.083 -6.062 1.00 44.34 H new ATOM 0 HG12 ILE A 23 -28.458 28.625 -6.749 1.00 24.53 H new ATOM 0 HG13 ILE A 23 -29.114 27.774 -8.133 1.00 24.53 H new ATOM 0 HG21 ILE A 23 -26.295 28.034 -6.160 1.00 61.50 H new ATOM 0 HG22 ILE A 23 -25.547 26.591 -6.885 1.00 61.50 H new ATOM 0 HG23 ILE A 23 -26.206 27.872 -7.930 1.00 61.50 H new ATOM 0 HD11 ILE A 23 -30.808 28.050 -6.391 1.00 31.25 H new ATOM 0 HD12 ILE A 23 -30.437 26.327 -6.634 1.00 31.25 H new ATOM 0 HD13 ILE A 23 -29.771 27.191 -5.228 1.00 31.25 H new ATOM 408 N VAL A 24 -29.709 24.261 -7.666 1.00 51.04 N ATOM 409 CA VAL A 24 -31.090 23.809 -7.790 1.00 1.40 C ATOM 410 C VAL A 24 -31.704 23.538 -6.421 1.00 41.32 C ATOM 411 O VAL A 24 -31.167 22.761 -5.631 1.00 13.11 O ATOM 412 CB VAL A 24 -31.188 22.533 -8.647 1.00 15.24 C ATOM 413 CG1 VAL A 24 -32.430 22.574 -9.524 1.00 72.42 C ATOM 414 CG2 VAL A 24 -29.935 22.360 -9.490 1.00 44.24 C ATOM 0 H VAL A 24 -29.157 23.747 -6.980 1.00 51.04 H new ATOM 0 HA VAL A 24 -31.643 24.610 -8.281 1.00 1.40 H new ATOM 0 HB VAL A 24 -31.271 21.674 -7.981 1.00 15.24 H new ATOM 0 HG11 VAL A 24 -32.483 21.665 -10.123 1.00 72.42 H new ATOM 0 HG12 VAL A 24 -33.317 22.647 -8.895 1.00 72.42 H new ATOM 0 HG13 VAL A 24 -32.381 23.440 -10.184 1.00 72.42 H new ATOM 0 HG21 VAL A 24 -30.022 21.453 -10.089 1.00 44.24 H new ATOM 0 HG22 VAL A 24 -29.818 23.220 -10.149 1.00 44.24 H new ATOM 0 HG23 VAL A 24 -29.065 22.282 -8.837 1.00 44.24 H new ATOM 424 N HIS A 25 -32.833 24.184 -6.147 1.00 30.13 N ATOM 425 CA HIS A 25 -33.522 24.012 -4.873 1.00 21.33 C ATOM 426 C HIS A 25 -32.588 24.315 -3.705 1.00 31.22 C ATOM 427 O HIS A 25 -32.785 23.821 -2.595 1.00 63.45 O ATOM 428 CB HIS A 25 -34.064 22.587 -4.751 1.00 14.44 C ATOM 429 CG HIS A 25 -35.357 22.501 -4.000 1.00 14.23 C ATOM 430 ND1 HIS A 25 -36.089 21.337 -3.891 1.00 43.24 N ATOM 431 CD2 HIS A 25 -36.048 23.443 -3.316 1.00 35.11 C ATOM 432 CE1 HIS A 25 -37.175 21.567 -3.175 1.00 45.10 C ATOM 433 NE2 HIS A 25 -37.174 22.837 -2.813 1.00 42.42 N ATOM 0 H HIS A 25 -33.290 24.831 -6.790 1.00 30.13 H new ATOM 0 HA HIS A 25 -34.355 24.714 -4.841 1.00 21.33 H new ATOM 0 HB2 HIS A 25 -34.205 22.174 -5.750 1.00 14.44 H new ATOM 0 HB3 HIS A 25 -33.321 21.966 -4.251 1.00 14.44 H new ATOM 0 HD2 HIS A 25 -35.767 24.478 -3.189 1.00 35.11 H new ATOM 0 HE1 HIS A 25 -37.935 20.840 -2.928 1.00 45.10 H new ATOM 0 HE2 HIS A 25 -37.892 23.294 -2.251 1.00 42.42 H new ATOM 441 N GLY A 26 -31.570 25.131 -3.963 1.00 74.42 N ATOM 442 CA GLY A 26 -30.621 25.485 -2.924 1.00 71.51 C ATOM 443 C GLY A 26 -29.414 24.568 -2.905 1.00 41.01 C ATOM 444 O GLY A 26 -28.661 24.543 -1.933 1.00 4.02 O ATOM 0 H GLY A 26 -31.386 25.553 -4.873 1.00 74.42 H new ATOM 0 HA2 GLY A 26 -30.290 26.513 -3.073 1.00 71.51 H new ATOM 0 HA3 GLY A 26 -31.118 25.447 -1.954 1.00 71.51 H new ATOM 448 N ASN A 27 -29.230 23.811 -3.982 1.00 52.43 N ATOM 449 CA ASN A 27 -28.107 22.887 -4.084 1.00 61.15 C ATOM 450 C ASN A 27 -27.175 23.287 -5.224 1.00 3.41 C ATOM 451 O ASN A 27 -27.496 23.103 -6.398 1.00 64.44 O ATOM 452 CB ASN A 27 -28.613 21.459 -4.302 1.00 45.41 C ATOM 453 CG ASN A 27 -29.402 20.939 -3.117 1.00 22.54 C ATOM 454 OD1 ASN A 27 -29.040 21.174 -1.964 1.00 4.12 O ATOM 455 ND2 ASN A 27 -30.487 20.226 -3.396 1.00 20.24 N ATOM 0 H ASN A 27 -29.844 23.820 -4.796 1.00 52.43 H new ATOM 0 HA ASN A 27 -27.548 22.929 -3.149 1.00 61.15 H new ATOM 0 HB2 ASN A 27 -29.240 21.431 -5.193 1.00 45.41 H new ATOM 0 HB3 ASN A 27 -27.765 20.800 -4.488 1.00 45.41 H new ATOM 0 HD21 ASN A 27 -31.058 19.849 -2.640 1.00 20.24 H new ATOM 0 HD22 ASN A 27 -30.750 20.056 -4.367 1.00 20.24 H new ATOM 462 N THR A 28 -26.017 23.837 -4.869 1.00 53.10 N ATOM 463 CA THR A 28 -25.038 24.264 -5.860 1.00 53.44 C ATOM 464 C THR A 28 -24.442 23.069 -6.595 1.00 52.12 C ATOM 465 O THR A 28 -24.239 22.006 -6.009 1.00 1.24 O ATOM 466 CB THR A 28 -23.899 25.074 -5.213 1.00 14.34 C ATOM 467 OG1 THR A 28 -24.412 25.862 -4.132 1.00 23.21 O ATOM 468 CG2 THR A 28 -23.231 25.981 -6.235 1.00 22.11 C ATOM 0 H THR A 28 -25.735 23.997 -3.902 1.00 53.10 H new ATOM 0 HA THR A 28 -25.566 24.899 -6.572 1.00 53.44 H new ATOM 0 HB THR A 28 -23.156 24.374 -4.832 1.00 14.34 H new ATOM 0 HG1 THR A 28 -23.682 26.373 -3.724 1.00 23.21 H new ATOM 0 HG21 THR A 28 -22.430 26.543 -5.754 1.00 22.11 H new ATOM 0 HG22 THR A 28 -22.817 25.377 -7.042 1.00 22.11 H new ATOM 0 HG23 THR A 28 -23.967 26.674 -6.642 1.00 22.11 H new ATOM 476 N SER A 29 -24.163 23.250 -7.882 1.00 54.41 N ATOM 477 CA SER A 29 -23.593 22.185 -8.698 1.00 61.01 C ATOM 478 C SER A 29 -22.595 22.748 -9.706 1.00 74.41 C ATOM 479 O SER A 29 -22.913 23.663 -10.466 1.00 21.20 O ATOM 480 CB SER A 29 -24.701 21.425 -9.430 1.00 10.13 C ATOM 481 OG SER A 29 -25.640 20.887 -8.515 1.00 53.40 O ATOM 0 H SER A 29 -24.323 24.125 -8.382 1.00 54.41 H new ATOM 0 HA SER A 29 -23.066 21.497 -8.037 1.00 61.01 H new ATOM 0 HB2 SER A 29 -25.208 22.095 -10.125 1.00 10.13 H new ATOM 0 HB3 SER A 29 -24.265 20.621 -10.023 1.00 10.13 H new ATOM 0 HG SER A 29 -26.339 20.408 -9.007 1.00 53.40 H new ATOM 487 N TYR A 30 -21.388 22.193 -9.706 1.00 52.52 N ATOM 488 CA TYR A 30 -20.342 22.641 -10.618 1.00 71.54 C ATOM 489 C TYR A 30 -20.143 21.639 -11.752 1.00 31.01 C ATOM 490 O TYR A 30 -19.754 20.493 -11.523 1.00 2.02 O ATOM 491 CB TYR A 30 -19.028 22.839 -9.862 1.00 4.40 C ATOM 492 CG TYR A 30 -18.946 24.158 -9.127 1.00 23.05 C ATOM 493 CD1 TYR A 30 -19.947 24.548 -8.246 1.00 2.22 C ATOM 494 CD2 TYR A 30 -17.866 25.013 -9.312 1.00 13.21 C ATOM 495 CE1 TYR A 30 -19.876 25.752 -7.572 1.00 53.34 C ATOM 496 CE2 TYR A 30 -17.787 26.219 -8.642 1.00 23.44 C ATOM 497 CZ TYR A 30 -18.794 26.584 -7.773 1.00 73.15 C ATOM 498 OH TYR A 30 -18.720 27.784 -7.104 1.00 23.55 O ATOM 0 H TYR A 30 -21.110 21.433 -9.085 1.00 52.52 H new ATOM 0 HA TYR A 30 -20.653 23.593 -11.048 1.00 71.54 H new ATOM 0 HB2 TYR A 30 -18.904 22.026 -9.147 1.00 4.40 H new ATOM 0 HB3 TYR A 30 -18.199 22.773 -10.567 1.00 4.40 H new ATOM 0 HD1 TYR A 30 -20.795 23.899 -8.085 1.00 2.22 H new ATOM 0 HD2 TYR A 30 -17.075 24.730 -9.991 1.00 13.21 H new ATOM 0 HE1 TYR A 30 -20.663 26.040 -6.891 1.00 53.34 H new ATOM 0 HE2 TYR A 30 -16.941 26.872 -8.798 1.00 23.44 H new ATOM 0 HH TYR A 30 -19.167 27.702 -6.236 1.00 23.55 H new ATOM 508 N LEU A 31 -20.413 22.080 -12.976 1.00 24.32 N ATOM 509 CA LEU A 31 -20.263 21.224 -14.147 1.00 70.54 C ATOM 510 C LEU A 31 -18.870 21.366 -14.752 1.00 1.31 C ATOM 511 O LEU A 31 -18.548 22.385 -15.363 1.00 53.41 O ATOM 512 CB LEU A 31 -21.324 21.569 -15.194 1.00 65.34 C ATOM 513 CG LEU A 31 -21.388 20.648 -16.413 1.00 62.15 C ATOM 514 CD1 LEU A 31 -21.340 19.190 -15.984 1.00 63.32 C ATOM 515 CD2 LEU A 31 -22.644 20.925 -17.226 1.00 13.52 C ATOM 0 H LEU A 31 -20.737 23.025 -13.183 1.00 24.32 H new ATOM 0 HA LEU A 31 -20.397 20.190 -13.830 1.00 70.54 H new ATOM 0 HB2 LEU A 31 -22.300 21.564 -14.708 1.00 65.34 H new ATOM 0 HB3 LEU A 31 -21.146 22.587 -15.541 1.00 65.34 H new ATOM 0 HG LEU A 31 -20.521 20.849 -17.042 1.00 62.15 H new ATOM 0 HD11 LEU A 31 -21.387 18.550 -16.865 1.00 63.32 H new ATOM 0 HD12 LEU A 31 -20.412 18.999 -15.446 1.00 63.32 H new ATOM 0 HD13 LEU A 31 -22.187 18.974 -15.333 1.00 63.32 H new ATOM 0 HD21 LEU A 31 -22.672 20.260 -18.089 1.00 13.52 H new ATOM 0 HD22 LEU A 31 -23.524 20.753 -16.606 1.00 13.52 H new ATOM 0 HD23 LEU A 31 -22.637 21.961 -17.566 1.00 13.52 H new ATOM 527 N VAL A 32 -18.047 20.337 -14.579 1.00 21.12 N ATOM 528 CA VAL A 32 -16.689 20.346 -15.110 1.00 71.20 C ATOM 529 C VAL A 32 -16.529 19.321 -16.227 1.00 73.12 C ATOM 530 O VAL A 32 -17.189 18.281 -16.230 1.00 44.13 O ATOM 531 CB VAL A 32 -15.653 20.054 -14.008 1.00 74.41 C ATOM 532 CG1 VAL A 32 -15.777 18.616 -13.527 1.00 23.10 C ATOM 533 CG2 VAL A 32 -14.246 20.337 -14.511 1.00 52.24 C ATOM 0 H VAL A 32 -18.297 19.486 -14.075 1.00 21.12 H new ATOM 0 HA VAL A 32 -16.512 21.345 -15.509 1.00 71.20 H new ATOM 0 HB VAL A 32 -15.851 20.713 -13.163 1.00 74.41 H new ATOM 0 HG11 VAL A 32 -15.037 18.428 -12.749 1.00 23.10 H new ATOM 0 HG12 VAL A 32 -16.777 18.452 -13.125 1.00 23.10 H new ATOM 0 HG13 VAL A 32 -15.606 17.937 -14.362 1.00 23.10 H new ATOM 0 HG21 VAL A 32 -13.527 20.125 -13.719 1.00 52.24 H new ATOM 0 HG22 VAL A 32 -14.034 19.704 -15.373 1.00 52.24 H new ATOM 0 HG23 VAL A 32 -14.167 21.385 -14.802 1.00 52.24 H new ATOM 543 N LYS A 33 -15.649 19.621 -17.176 1.00 24.41 N ATOM 544 CA LYS A 33 -15.399 18.725 -18.299 1.00 51.24 C ATOM 545 C LYS A 33 -14.169 17.861 -18.043 1.00 61.52 C ATOM 546 O LYS A 33 -13.652 17.816 -16.927 1.00 45.31 O ATOM 547 CB LYS A 33 -15.211 19.530 -19.587 1.00 63.03 C ATOM 548 CG LYS A 33 -14.043 20.500 -19.533 1.00 53.21 C ATOM 549 CD LYS A 33 -14.202 21.621 -20.547 1.00 61.30 C ATOM 550 CE LYS A 33 -12.920 21.846 -21.334 1.00 71.32 C ATOM 551 NZ LYS A 33 -13.002 23.060 -22.192 1.00 41.20 N ATOM 0 H LYS A 33 -15.097 20.478 -17.190 1.00 24.41 H new ATOM 0 HA LYS A 33 -16.264 18.071 -18.409 1.00 51.24 H new ATOM 0 HB2 LYS A 33 -15.062 18.841 -20.418 1.00 63.03 H new ATOM 0 HB3 LYS A 33 -16.125 20.086 -19.795 1.00 63.03 H new ATOM 0 HG2 LYS A 33 -13.966 20.923 -18.531 1.00 53.21 H new ATOM 0 HG3 LYS A 33 -13.114 19.963 -19.725 1.00 53.21 H new ATOM 0 HD2 LYS A 33 -15.014 21.380 -21.233 1.00 61.30 H new ATOM 0 HD3 LYS A 33 -14.481 22.541 -20.033 1.00 61.30 H new ATOM 0 HE2 LYS A 33 -12.083 21.945 -20.643 1.00 71.32 H new ATOM 0 HE3 LYS A 33 -12.718 20.974 -21.956 1.00 71.32 H new ATOM 0 HZ1 LYS A 33 -12.058 23.285 -22.566 1.00 41.20 H new ATOM 0 HZ2 LYS A 33 -13.654 22.883 -22.982 1.00 41.20 H new ATOM 0 HZ3 LYS A 33 -13.351 23.861 -21.628 1.00 41.20 H new ATOM 565 N TRP A 34 -13.706 17.177 -19.083 1.00 24.40 N ATOM 566 CA TRP A 34 -12.535 16.314 -18.970 1.00 3.31 C ATOM 567 C TRP A 34 -11.581 16.535 -20.139 1.00 74.42 C ATOM 568 O TRP A 34 -11.770 15.977 -21.221 1.00 23.04 O ATOM 569 CB TRP A 34 -12.961 14.846 -18.913 1.00 5.34 C ATOM 570 CG TRP A 34 -14.190 14.616 -18.087 1.00 53.43 C ATOM 571 CD1 TRP A 34 -14.401 15.022 -16.800 1.00 74.14 C ATOM 572 CD2 TRP A 34 -15.377 13.925 -18.492 1.00 51.41 C ATOM 573 NE1 TRP A 34 -15.648 14.625 -16.381 1.00 30.42 N ATOM 574 CE2 TRP A 34 -16.267 13.951 -17.400 1.00 61.13 C ATOM 575 CE3 TRP A 34 -15.776 13.290 -19.671 1.00 23.51 C ATOM 576 CZ2 TRP A 34 -17.528 13.364 -17.455 1.00 32.15 C ATOM 577 CZ3 TRP A 34 -17.028 12.707 -19.723 1.00 3.10 C ATOM 578 CH2 TRP A 34 -17.892 12.748 -18.621 1.00 53.00 C ATOM 0 H TRP A 34 -14.123 17.203 -20.014 1.00 24.40 H new ATOM 0 HA TRP A 34 -12.014 16.569 -18.047 1.00 3.31 H new ATOM 0 HB2 TRP A 34 -13.141 14.488 -19.927 1.00 5.34 H new ATOM 0 HB3 TRP A 34 -12.142 14.253 -18.506 1.00 5.34 H new ATOM 0 HD1 TRP A 34 -13.692 15.574 -16.200 1.00 74.14 H new ATOM 0 HE1 TRP A 34 -16.048 14.803 -15.460 1.00 30.42 H new ATOM 0 HE3 TRP A 34 -15.118 13.255 -20.526 1.00 23.51 H new ATOM 0 HZ2 TRP A 34 -18.196 13.394 -16.607 1.00 32.15 H new ATOM 0 HZ3 TRP A 34 -17.346 12.211 -20.628 1.00 3.10 H new ATOM 0 HH2 TRP A 34 -18.865 12.284 -18.693 1.00 53.00 H new ATOM 754 N GLU A 45 -20.711 18.196 -10.368 1.00 55.40 N ATOM 755 CA GLU A 45 -20.265 17.886 -9.015 1.00 13.01 C ATOM 756 C GLU A 45 -20.608 19.022 -8.055 1.00 73.40 C ATOM 757 O GLU A 45 -20.248 20.176 -8.286 1.00 50.42 O ATOM 758 CB GLU A 45 -18.757 17.627 -8.998 1.00 53.31 C ATOM 759 CG GLU A 45 -18.366 16.272 -9.562 1.00 20.30 C ATOM 760 CD GLU A 45 -17.878 15.314 -8.493 1.00 34.35 C ATOM 761 OE1 GLU A 45 -17.094 15.746 -7.623 1.00 5.34 O ATOM 762 OE2 GLU A 45 -18.281 14.132 -8.525 1.00 41.23 O ATOM 0 HA GLU A 45 -20.785 16.986 -8.686 1.00 13.01 H new ATOM 0 HB2 GLU A 45 -18.256 18.408 -9.571 1.00 53.31 H new ATOM 0 HB3 GLU A 45 -18.395 17.702 -7.972 1.00 53.31 H new ATOM 0 HG2 GLU A 45 -19.224 15.834 -10.073 1.00 20.30 H new ATOM 0 HG3 GLU A 45 -17.584 16.406 -10.309 1.00 20.30 H new ATOM 769 N THR A 46 -21.308 18.686 -6.976 1.00 33.52 N ATOM 770 CA THR A 46 -21.702 19.675 -5.981 1.00 52.44 C ATOM 771 C THR A 46 -20.557 20.634 -5.676 1.00 23.31 C ATOM 772 O THR A 46 -19.386 20.272 -5.791 1.00 52.32 O ATOM 773 CB THR A 46 -22.159 19.005 -4.672 1.00 1.22 C ATOM 774 OG1 THR A 46 -21.570 17.705 -4.556 1.00 34.02 O ATOM 775 CG2 THR A 46 -23.675 18.887 -4.624 1.00 42.44 C ATOM 0 H THR A 46 -21.614 17.735 -6.769 1.00 33.52 H new ATOM 0 HA THR A 46 -22.537 20.233 -6.404 1.00 52.44 H new ATOM 0 HB THR A 46 -21.833 19.627 -3.838 1.00 1.22 H new ATOM 0 HG1 THR A 46 -22.095 17.162 -3.931 1.00 34.02 H new ATOM 0 HG21 THR A 46 -23.973 18.411 -3.690 1.00 42.44 H new ATOM 0 HG22 THR A 46 -24.119 19.881 -4.683 1.00 42.44 H new ATOM 0 HG23 THR A 46 -24.020 18.285 -5.465 1.00 42.44 H new ATOM 783 N GLU A 47 -20.902 21.857 -5.285 1.00 74.53 N ATOM 784 CA GLU A 47 -19.901 22.866 -4.963 1.00 51.53 C ATOM 785 C GLU A 47 -18.992 22.391 -3.834 1.00 21.51 C ATOM 786 O GLU A 47 -17.867 22.869 -3.684 1.00 55.03 O ATOM 787 CB GLU A 47 -20.578 24.180 -4.568 1.00 54.42 C ATOM 788 CG GLU A 47 -19.664 25.136 -3.820 1.00 62.23 C ATOM 789 CD GLU A 47 -20.335 26.458 -3.502 1.00 73.35 C ATOM 790 OE1 GLU A 47 -21.054 26.527 -2.483 1.00 43.42 O ATOM 791 OE2 GLU A 47 -20.143 27.422 -4.272 1.00 71.34 O ATOM 0 H GLU A 47 -21.867 22.172 -5.184 1.00 74.53 H new ATOM 0 HA GLU A 47 -19.291 23.032 -5.851 1.00 51.53 H new ATOM 0 HB2 GLU A 47 -20.947 24.673 -5.467 1.00 54.42 H new ATOM 0 HB3 GLU A 47 -21.446 23.959 -3.946 1.00 54.42 H new ATOM 0 HG2 GLU A 47 -19.336 24.667 -2.892 1.00 62.23 H new ATOM 0 HG3 GLU A 47 -18.771 25.321 -4.417 1.00 62.23 H new ATOM 798 N ASP A 48 -19.487 21.446 -3.042 1.00 15.43 N ATOM 799 CA ASP A 48 -18.721 20.905 -1.926 1.00 22.43 C ATOM 800 C ASP A 48 -18.010 19.616 -2.329 1.00 55.21 C ATOM 801 O ASP A 48 -17.291 19.016 -1.530 1.00 51.04 O ATOM 802 CB ASP A 48 -19.637 20.643 -0.729 1.00 43.40 C ATOM 803 CG ASP A 48 -18.912 20.779 0.595 1.00 3.35 C ATOM 804 OD1 ASP A 48 -17.851 20.141 0.759 1.00 41.42 O ATOM 805 OD2 ASP A 48 -19.406 21.523 1.469 1.00 24.11 O ATOM 0 H ASP A 48 -20.416 21.039 -3.153 1.00 15.43 H new ATOM 0 HA ASP A 48 -17.969 21.642 -1.644 1.00 22.43 H new ATOM 0 HB2 ASP A 48 -20.473 21.342 -0.755 1.00 43.40 H new ATOM 0 HB3 ASP A 48 -20.057 19.640 -0.809 1.00 43.40 H new ATOM 810 N ASP A 49 -18.218 19.197 -3.572 1.00 73.43 N ATOM 811 CA ASP A 49 -17.598 17.979 -4.082 1.00 40.21 C ATOM 812 C ASP A 49 -16.731 18.280 -5.301 1.00 14.21 C ATOM 813 O ASP A 49 -16.016 17.409 -5.796 1.00 70.04 O ATOM 814 CB ASP A 49 -18.669 16.949 -4.444 1.00 63.21 C ATOM 815 CG ASP A 49 -19.437 16.462 -3.231 1.00 71.23 C ATOM 816 OD1 ASP A 49 -19.125 16.915 -2.111 1.00 12.45 O ATOM 817 OD2 ASP A 49 -20.350 15.626 -3.403 1.00 3.53 O ATOM 0 H ASP A 49 -18.811 19.682 -4.245 1.00 73.43 H new ATOM 0 HA ASP A 49 -16.961 17.569 -3.298 1.00 40.21 H new ATOM 0 HB2 ASP A 49 -19.365 17.389 -5.159 1.00 63.21 H new ATOM 0 HB3 ASP A 49 -18.199 16.099 -4.938 1.00 63.21 H new ATOM 822 N ILE A 50 -16.802 19.518 -5.779 1.00 63.24 N ATOM 823 CA ILE A 50 -16.024 19.933 -6.940 1.00 23.01 C ATOM 824 C ILE A 50 -14.753 20.662 -6.518 1.00 24.25 C ATOM 825 O ILE A 50 -13.709 20.533 -7.158 1.00 53.53 O ATOM 826 CB ILE A 50 -16.843 20.849 -7.868 1.00 62.04 C ATOM 827 CG1 ILE A 50 -16.045 21.174 -9.133 1.00 12.51 C ATOM 828 CG2 ILE A 50 -17.236 22.126 -7.140 1.00 71.34 C ATOM 829 CD1 ILE A 50 -16.560 20.472 -10.370 1.00 21.24 C ATOM 0 H ILE A 50 -17.390 20.250 -5.381 1.00 63.24 H new ATOM 0 HA ILE A 50 -15.757 19.026 -7.482 1.00 23.01 H new ATOM 0 HB ILE A 50 -17.754 20.326 -8.160 1.00 62.04 H new ATOM 0 HG12 ILE A 50 -16.068 22.251 -9.300 1.00 12.51 H new ATOM 0 HG13 ILE A 50 -15.002 20.898 -8.976 1.00 12.51 H new ATOM 0 HG21 ILE A 50 -17.814 22.763 -7.809 1.00 71.34 H new ATOM 0 HG22 ILE A 50 -17.838 21.876 -6.266 1.00 71.34 H new ATOM 0 HG23 ILE A 50 -16.337 22.655 -6.822 1.00 71.34 H new ATOM 0 HD11 ILE A 50 -15.947 20.749 -11.228 1.00 21.24 H new ATOM 0 HD12 ILE A 50 -16.512 19.393 -10.223 1.00 21.24 H new ATOM 0 HD13 ILE A 50 -17.593 20.767 -10.552 1.00 21.24 H new ATOM 841 N ARG A 51 -14.847 21.426 -5.434 1.00 73.40 N ATOM 842 CA ARG A 51 -13.705 22.175 -4.925 1.00 62.31 C ATOM 843 C ARG A 51 -12.770 21.267 -4.131 1.00 11.35 C ATOM 844 O ARG A 51 -11.613 21.610 -3.886 1.00 43.22 O ATOM 845 CB ARG A 51 -14.178 23.333 -4.045 1.00 73.01 C ATOM 846 CG ARG A 51 -13.998 23.080 -2.557 1.00 54.51 C ATOM 847 CD ARG A 51 -14.947 22.003 -2.056 1.00 71.32 C ATOM 848 NE ARG A 51 -15.674 22.425 -0.862 1.00 50.32 N ATOM 849 CZ ARG A 51 -15.175 22.351 0.367 1.00 71.03 C ATOM 850 NH1 ARG A 51 -13.954 21.873 0.562 1.00 2.41 N ATOM 851 NH2 ARG A 51 -15.898 22.755 1.403 1.00 11.52 N ATOM 0 H ARG A 51 -15.703 21.542 -4.892 1.00 73.40 H new ATOM 0 HA ARG A 51 -13.157 22.577 -5.777 1.00 62.31 H new ATOM 0 HB2 ARG A 51 -13.631 24.235 -4.320 1.00 73.01 H new ATOM 0 HB3 ARG A 51 -15.232 23.525 -4.247 1.00 73.01 H new ATOM 0 HG2 ARG A 51 -12.969 22.780 -2.360 1.00 54.51 H new ATOM 0 HG3 ARG A 51 -14.172 24.004 -2.006 1.00 54.51 H new ATOM 0 HD2 ARG A 51 -15.658 21.752 -2.843 1.00 71.32 H new ATOM 0 HD3 ARG A 51 -14.383 21.097 -1.835 1.00 71.32 H new ATOM 0 HE ARG A 51 -16.617 22.797 -0.978 1.00 50.32 H new ATOM 0 HH11 ARG A 51 -13.396 21.561 -0.232 1.00 2.41 H new ATOM 0 HH12 ARG A 51 -13.573 21.817 1.507 1.00 2.41 H new ATOM 0 HH21 ARG A 51 -16.838 23.123 1.256 1.00 11.52 H new ATOM 0 HH22 ARG A 51 -15.514 22.698 2.346 1.00 11.52 H new ATOM 865 N THR A 52 -13.280 20.107 -3.729 1.00 10.14 N ATOM 866 CA THR A 52 -12.493 19.151 -2.960 1.00 45.25 C ATOM 867 C THR A 52 -11.721 18.210 -3.879 1.00 15.11 C ATOM 868 O THR A 52 -10.630 17.751 -3.541 1.00 11.53 O ATOM 869 CB THR A 52 -13.383 18.317 -2.020 1.00 3.10 C ATOM 870 OG1 THR A 52 -12.573 17.438 -1.231 1.00 53.00 O ATOM 871 CG2 THR A 52 -14.397 17.506 -2.813 1.00 2.34 C ATOM 0 H THR A 52 -14.235 19.807 -3.923 1.00 10.14 H new ATOM 0 HA THR A 52 -11.789 19.730 -2.362 1.00 45.25 H new ATOM 0 HB THR A 52 -13.922 19.001 -1.364 1.00 3.10 H new ATOM 0 HG1 THR A 52 -13.146 16.912 -0.635 1.00 53.00 H new ATOM 0 HG21 THR A 52 -15.014 16.925 -2.128 1.00 2.34 H new ATOM 0 HG22 THR A 52 -15.031 18.180 -3.390 1.00 2.34 H new ATOM 0 HG23 THR A 52 -13.874 16.831 -3.490 1.00 2.34 H new ATOM 879 N LYS A 53 -12.295 17.926 -5.043 1.00 61.04 N ATOM 880 CA LYS A 53 -11.661 17.041 -6.013 1.00 60.41 C ATOM 881 C LYS A 53 -11.027 17.840 -7.147 1.00 1.33 C ATOM 882 O LYS A 53 -10.008 17.438 -7.708 1.00 44.24 O ATOM 883 CB LYS A 53 -12.685 16.055 -6.581 1.00 11.24 C ATOM 884 CG LYS A 53 -13.584 15.437 -5.524 1.00 73.22 C ATOM 885 CD LYS A 53 -12.776 14.757 -4.432 1.00 64.43 C ATOM 886 CE LYS A 53 -11.998 13.567 -4.974 1.00 3.02 C ATOM 887 NZ LYS A 53 -11.668 12.586 -3.903 1.00 4.31 N ATOM 0 H LYS A 53 -13.199 18.296 -5.338 1.00 61.04 H new ATOM 0 HA LYS A 53 -10.876 16.486 -5.500 1.00 60.41 H new ATOM 0 HB2 LYS A 53 -13.303 16.570 -7.317 1.00 11.24 H new ATOM 0 HB3 LYS A 53 -12.158 15.260 -7.108 1.00 11.24 H new ATOM 0 HG2 LYS A 53 -14.214 16.210 -5.084 1.00 73.22 H new ATOM 0 HG3 LYS A 53 -14.250 14.711 -5.991 1.00 73.22 H new ATOM 0 HD2 LYS A 53 -12.085 15.474 -3.989 1.00 64.43 H new ATOM 0 HD3 LYS A 53 -13.444 14.425 -3.637 1.00 64.43 H new ATOM 0 HE2 LYS A 53 -12.583 13.074 -5.751 1.00 3.02 H new ATOM 0 HE3 LYS A 53 -11.078 13.917 -5.442 1.00 3.02 H new ATOM 0 HZ1 LYS A 53 -11.138 11.790 -4.312 1.00 4.31 H new ATOM 0 HZ2 LYS A 53 -11.089 13.049 -3.174 1.00 4.31 H new ATOM 0 HZ3 LYS A 53 -12.547 12.232 -3.473 1.00 4.31 H new ATOM 901 N TYR A 54 -11.635 18.974 -7.477 1.00 72.10 N ATOM 902 CA TYR A 54 -11.130 19.829 -8.544 1.00 52.43 C ATOM 903 C TYR A 54 -10.928 21.258 -8.048 1.00 72.10 C ATOM 904 O TYR A 54 -11.067 22.216 -8.807 1.00 2.33 O ATOM 905 CB TYR A 54 -12.094 19.822 -9.732 1.00 33.22 C ATOM 906 CG TYR A 54 -12.670 18.457 -10.036 1.00 65.00 C ATOM 907 CD1 TYR A 54 -11.864 17.433 -10.519 1.00 42.51 C ATOM 908 CD2 TYR A 54 -14.019 18.191 -9.839 1.00 71.13 C ATOM 909 CE1 TYR A 54 -12.385 16.185 -10.799 1.00 54.40 C ATOM 910 CE2 TYR A 54 -14.549 16.945 -10.115 1.00 51.21 C ATOM 911 CZ TYR A 54 -13.728 15.946 -10.595 1.00 54.12 C ATOM 912 OH TYR A 54 -14.252 14.704 -10.872 1.00 24.35 O ATOM 0 H TYR A 54 -12.478 19.322 -7.021 1.00 72.10 H new ATOM 0 HA TYR A 54 -10.166 19.435 -8.864 1.00 52.43 H new ATOM 0 HB2 TYR A 54 -12.911 20.515 -9.531 1.00 33.22 H new ATOM 0 HB3 TYR A 54 -11.572 20.192 -10.615 1.00 33.22 H new ATOM 0 HD1 TYR A 54 -10.812 17.616 -10.678 1.00 42.51 H new ATOM 0 HD2 TYR A 54 -14.665 18.971 -9.464 1.00 71.13 H new ATOM 0 HE1 TYR A 54 -11.745 15.401 -11.175 1.00 54.40 H new ATOM 0 HE2 TYR A 54 -15.600 16.755 -9.956 1.00 51.21 H new ATOM 0 HH TYR A 54 -15.212 14.702 -10.673 1.00 24.35 H new ATOM 922 N GLY A 55 -10.599 21.391 -6.767 1.00 4.43 N ATOM 923 CA GLY A 55 -10.382 22.705 -6.190 1.00 1.15 C ATOM 924 C GLY A 55 -9.399 23.535 -6.991 1.00 0.52 C ATOM 925 O GLY A 55 -9.391 24.763 -6.896 1.00 72.13 O ATOM 0 H GLY A 55 -10.479 20.613 -6.119 1.00 4.43 H new ATOM 0 HA2 GLY A 55 -11.334 23.233 -6.129 1.00 1.15 H new ATOM 0 HA3 GLY A 55 -10.013 22.594 -5.170 1.00 1.15 H new ATOM 929 N ASP A 56 -8.567 22.865 -7.780 1.00 40.54 N ATOM 930 CA ASP A 56 -7.574 23.549 -8.601 1.00 54.42 C ATOM 931 C ASP A 56 -8.246 24.509 -9.579 1.00 62.31 C ATOM 932 O ASP A 56 -7.918 25.695 -9.626 1.00 3.13 O ATOM 933 CB ASP A 56 -6.726 22.533 -9.366 1.00 61.44 C ATOM 934 CG ASP A 56 -5.240 22.736 -9.146 1.00 22.01 C ATOM 935 OD1 ASP A 56 -4.710 23.773 -9.596 1.00 13.44 O ATOM 936 OD2 ASP A 56 -4.606 21.857 -8.524 1.00 51.23 O ATOM 0 H ASP A 56 -8.560 21.849 -7.869 1.00 40.54 H new ATOM 0 HA ASP A 56 -6.927 24.126 -7.940 1.00 54.42 H new ATOM 0 HB2 ASP A 56 -7.002 21.526 -9.054 1.00 61.44 H new ATOM 0 HB3 ASP A 56 -6.946 22.609 -10.431 1.00 61.44 H new ATOM 941 N LEU A 57 -9.186 23.988 -10.359 1.00 71.35 N ATOM 942 CA LEU A 57 -9.904 24.798 -11.338 1.00 24.50 C ATOM 943 C LEU A 57 -11.056 25.550 -10.681 1.00 53.44 C ATOM 944 O LEU A 57 -11.400 26.660 -11.090 1.00 71.42 O ATOM 945 CB LEU A 57 -10.434 23.915 -12.469 1.00 34.21 C ATOM 946 CG LEU A 57 -10.777 22.473 -12.091 1.00 4.21 C ATOM 947 CD1 LEU A 57 -11.973 21.981 -12.890 1.00 52.53 C ATOM 948 CD2 LEU A 57 -9.576 21.565 -12.311 1.00 61.34 C ATOM 0 H LEU A 57 -9.469 23.008 -10.333 1.00 71.35 H new ATOM 0 HA LEU A 57 -9.208 25.527 -11.752 1.00 24.50 H new ATOM 0 HB2 LEU A 57 -11.328 24.384 -12.881 1.00 34.21 H new ATOM 0 HB3 LEU A 57 -9.690 23.893 -13.265 1.00 34.21 H new ATOM 0 HG LEU A 57 -11.039 22.447 -11.033 1.00 4.21 H new ATOM 0 HD11 LEU A 57 -12.202 20.953 -12.607 1.00 52.53 H new ATOM 0 HD12 LEU A 57 -12.835 22.615 -12.682 1.00 52.53 H new ATOM 0 HD13 LEU A 57 -11.741 22.021 -13.954 1.00 52.53 H new ATOM 0 HD21 LEU A 57 -9.838 20.543 -12.037 1.00 61.34 H new ATOM 0 HD22 LEU A 57 -9.284 21.596 -13.361 1.00 61.34 H new ATOM 0 HD23 LEU A 57 -8.745 21.905 -11.693 1.00 61.34 H new ATOM 960 N VAL A 58 -11.649 24.941 -9.660 1.00 21.34 N ATOM 961 CA VAL A 58 -12.761 25.555 -8.944 1.00 21.44 C ATOM 962 C VAL A 58 -12.391 26.946 -8.443 1.00 2.12 C ATOM 963 O VAL A 58 -13.195 27.876 -8.512 1.00 22.04 O ATOM 964 CB VAL A 58 -13.203 24.691 -7.747 1.00 51.23 C ATOM 965 CG1 VAL A 58 -14.305 25.388 -6.964 1.00 3.43 C ATOM 966 CG2 VAL A 58 -13.660 23.320 -8.221 1.00 34.33 C ATOM 0 H VAL A 58 -11.378 24.022 -9.310 1.00 21.34 H new ATOM 0 HA VAL A 58 -13.587 25.634 -9.651 1.00 21.44 H new ATOM 0 HB VAL A 58 -12.349 24.555 -7.083 1.00 51.23 H new ATOM 0 HG11 VAL A 58 -14.604 24.763 -6.123 1.00 3.43 H new ATOM 0 HG12 VAL A 58 -13.938 26.345 -6.593 1.00 3.43 H new ATOM 0 HG13 VAL A 58 -15.163 25.556 -7.615 1.00 3.43 H new ATOM 0 HG21 VAL A 58 -13.969 22.723 -7.363 1.00 34.33 H new ATOM 0 HG22 VAL A 58 -14.501 23.433 -8.906 1.00 34.33 H new ATOM 0 HG23 VAL A 58 -12.839 22.820 -8.734 1.00 34.33 H new ATOM 976 N ASP A 59 -11.169 27.082 -7.939 1.00 60.05 N ATOM 977 CA ASP A 59 -10.691 28.361 -7.428 1.00 3.20 C ATOM 978 C ASP A 59 -10.227 29.263 -8.568 1.00 22.14 C ATOM 979 O ASP A 59 -9.699 30.351 -8.336 1.00 60.21 O ATOM 980 CB ASP A 59 -9.547 28.143 -6.436 1.00 70.42 C ATOM 981 CG ASP A 59 -10.035 27.646 -5.090 1.00 14.14 C ATOM 982 OD1 ASP A 59 -11.266 27.615 -4.880 1.00 1.01 O ATOM 983 OD2 ASP A 59 -9.187 27.290 -4.245 1.00 31.50 O ATOM 0 H ASP A 59 -10.492 26.322 -7.874 1.00 60.05 H new ATOM 0 HA ASP A 59 -11.518 28.851 -6.915 1.00 3.20 H new ATOM 0 HB2 ASP A 59 -8.842 27.423 -6.852 1.00 70.42 H new ATOM 0 HB3 ASP A 59 -9.005 29.079 -6.300 1.00 70.42 H new ATOM 988 N ASP A 60 -10.426 28.803 -9.798 1.00 33.12 N ATOM 989 CA ASP A 60 -10.029 29.568 -10.974 1.00 24.30 C ATOM 990 C ASP A 60 -11.249 29.989 -11.786 1.00 50.15 C ATOM 991 O ASP A 60 -11.172 30.894 -12.617 1.00 54.43 O ATOM 992 CB ASP A 60 -9.079 28.745 -11.846 1.00 42.33 C ATOM 993 CG ASP A 60 -7.641 29.213 -11.737 1.00 21.03 C ATOM 994 OD1 ASP A 60 -7.419 30.441 -11.679 1.00 23.34 O ATOM 995 OD2 ASP A 60 -6.738 28.351 -11.708 1.00 42.33 O ATOM 0 H ASP A 60 -10.860 27.904 -10.007 1.00 33.12 H new ATOM 0 HA ASP A 60 -9.513 30.467 -10.636 1.00 24.30 H new ATOM 0 HB2 ASP A 60 -9.140 27.696 -11.555 1.00 42.33 H new ATOM 0 HB3 ASP A 60 -9.400 28.806 -12.886 1.00 42.33 H new ATOM 1000 N PHE A 61 -12.374 29.326 -11.542 1.00 32.34 N ATOM 1001 CA PHE A 61 -13.611 29.630 -12.252 1.00 20.11 C ATOM 1002 C PHE A 61 -14.533 30.492 -11.394 1.00 62.13 C ATOM 1003 O PHE A 61 -14.876 31.613 -11.768 1.00 61.22 O ATOM 1004 CB PHE A 61 -14.327 28.337 -12.649 1.00 42.35 C ATOM 1005 CG PHE A 61 -15.673 28.566 -13.275 1.00 33.45 C ATOM 1006 CD1 PHE A 61 -15.782 28.900 -14.615 1.00 22.12 C ATOM 1007 CD2 PHE A 61 -16.830 28.445 -12.522 1.00 54.41 C ATOM 1008 CE1 PHE A 61 -17.020 29.111 -15.192 1.00 44.31 C ATOM 1009 CE2 PHE A 61 -18.071 28.655 -13.094 1.00 52.21 C ATOM 1010 CZ PHE A 61 -18.166 28.988 -14.431 1.00 63.42 C ATOM 0 H PHE A 61 -12.455 28.574 -10.858 1.00 32.34 H new ATOM 0 HA PHE A 61 -13.356 30.188 -13.153 1.00 20.11 H new ATOM 0 HB2 PHE A 61 -13.700 27.783 -13.347 1.00 42.35 H new ATOM 0 HB3 PHE A 61 -14.448 27.712 -11.764 1.00 42.35 H new ATOM 0 HD1 PHE A 61 -14.890 28.997 -15.216 1.00 22.12 H new ATOM 0 HD2 PHE A 61 -16.761 28.184 -11.476 1.00 54.41 H new ATOM 0 HE1 PHE A 61 -17.091 29.372 -16.238 1.00 44.31 H new ATOM 0 HE2 PHE A 61 -18.965 28.559 -12.496 1.00 52.21 H new ATOM 0 HZ PHE A 61 -19.134 29.152 -14.880 1.00 63.42 H new