USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 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 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00421 K(o=-0.0042,f=-0.99) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 27:sc= 0.209 USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.165 (180deg=-0.797) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.815 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.158) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.469 19.531 -16.717 1.00 12.30 N ATOM 248 CA GLU A 16 -9.122 20.706 -17.508 1.00 62.22 C ATOM 249 C GLU A 16 -9.525 21.988 -16.785 1.00 74.33 C ATOM 250 O GLU A 16 -8.674 22.787 -16.395 1.00 53.12 O ATOM 251 CB GLU A 16 -9.801 20.644 -18.878 1.00 44.41 C ATOM 252 CG GLU A 16 -8.828 20.467 -20.032 1.00 11.20 C ATOM 253 CD GLU A 16 -8.474 21.780 -20.704 1.00 35.22 C ATOM 254 OE1 GLU A 16 -8.159 22.749 -19.982 1.00 22.22 O ATOM 255 OE2 GLU A 16 -8.513 21.838 -21.950 1.00 55.44 O ATOM 0 HA GLU A 16 -8.041 20.713 -17.646 1.00 62.22 H new ATOM 0 HB2 GLU A 16 -10.513 19.819 -18.884 1.00 44.41 H new ATOM 0 HB3 GLU A 16 -10.372 21.559 -19.033 1.00 44.41 H new ATOM 0 HG2 GLU A 16 -7.917 19.994 -19.665 1.00 11.20 H new ATOM 0 HG3 GLU A 16 -9.263 19.792 -20.769 1.00 11.20 H new ATOM 262 N ARG A 17 -10.829 22.176 -16.611 1.00 54.32 N ATOM 263 CA ARG A 17 -11.347 23.361 -15.937 1.00 43.13 C ATOM 264 C ARG A 17 -12.856 23.257 -15.736 1.00 24.42 C ATOM 265 O ARG A 17 -13.514 22.406 -16.335 1.00 31.22 O ATOM 266 CB ARG A 17 -11.015 24.618 -16.743 1.00 42.14 C ATOM 267 CG ARG A 17 -12.077 24.983 -17.768 1.00 20.04 C ATOM 268 CD ARG A 17 -12.326 23.842 -18.742 1.00 15.41 C ATOM 269 NE ARG A 17 -12.532 24.323 -20.106 1.00 35.44 N ATOM 270 CZ ARG A 17 -11.541 24.644 -20.929 1.00 50.41 C ATOM 271 NH1 ARG A 17 -10.281 24.537 -20.529 1.00 55.22 N ATOM 272 NH2 ARG A 17 -11.809 25.074 -22.156 1.00 23.13 N ATOM 0 H ARG A 17 -11.546 21.523 -16.927 1.00 54.32 H new ATOM 0 HA ARG A 17 -10.871 23.428 -14.959 1.00 43.13 H new ATOM 0 HB2 ARG A 17 -10.882 25.454 -16.057 1.00 42.14 H new ATOM 0 HB3 ARG A 17 -10.064 24.471 -17.255 1.00 42.14 H new ATOM 0 HG2 ARG A 17 -13.006 25.236 -17.257 1.00 20.04 H new ATOM 0 HG3 ARG A 17 -11.764 25.871 -18.318 1.00 20.04 H new ATOM 0 HD2 ARG A 17 -11.478 23.157 -18.723 1.00 15.41 H new ATOM 0 HD3 ARG A 17 -13.200 23.276 -18.421 1.00 15.41 H new ATOM 0 HE ARG A 17 -13.490 24.417 -20.445 1.00 35.44 H new ATOM 0 HH11 ARG A 17 -10.071 24.207 -19.587 1.00 55.22 H new ATOM 0 HH12 ARG A 17 -9.522 24.784 -21.164 1.00 55.22 H new ATOM 0 HH21 ARG A 17 -12.777 25.158 -22.467 1.00 23.13 H new ATOM 0 HH22 ARG A 17 -11.047 25.320 -22.788 1.00 23.13 H new ATOM 286 N ILE A 18 -13.396 24.127 -14.889 1.00 62.51 N ATOM 287 CA ILE A 18 -14.826 24.132 -14.610 1.00 13.15 C ATOM 288 C ILE A 18 -15.619 24.637 -15.810 1.00 71.14 C ATOM 289 O ILE A 18 -15.518 25.804 -16.189 1.00 11.15 O ATOM 290 CB ILE A 18 -15.157 25.007 -13.386 1.00 34.53 C ATOM 291 CG1 ILE A 18 -14.304 24.588 -12.187 1.00 2.22 C ATOM 292 CG2 ILE A 18 -16.638 24.908 -13.049 1.00 62.11 C ATOM 293 CD1 ILE A 18 -14.863 23.403 -11.431 1.00 51.21 C ATOM 0 H ILE A 18 -12.865 24.837 -14.385 1.00 62.51 H new ATOM 0 HA ILE A 18 -15.110 23.101 -14.398 1.00 13.15 H new ATOM 0 HB ILE A 18 -14.927 26.045 -13.627 1.00 34.53 H new ATOM 0 HG12 ILE A 18 -13.299 24.346 -12.533 1.00 2.22 H new ATOM 0 HG13 ILE A 18 -14.211 25.433 -11.505 1.00 2.22 H new ATOM 0 HG21 ILE A 18 -16.856 25.532 -12.182 1.00 62.11 H new ATOM 0 HG22 ILE A 18 -17.228 25.249 -13.899 1.00 62.11 H new ATOM 0 HG23 ILE A 18 -16.891 23.872 -12.824 1.00 62.11 H new ATOM 0 HD11 ILE A 18 -14.207 23.162 -10.595 1.00 51.21 H new ATOM 0 HD12 ILE A 18 -15.856 23.647 -11.054 1.00 51.21 H new ATOM 0 HD13 ILE A 18 -14.930 22.544 -12.099 1.00 51.21 H new ATOM 305 N VAL A 19 -16.410 23.750 -16.406 1.00 31.23 N ATOM 306 CA VAL A 19 -17.223 24.106 -17.562 1.00 74.53 C ATOM 307 C VAL A 19 -18.215 25.211 -17.218 1.00 34.34 C ATOM 308 O VAL A 19 -18.201 26.283 -17.823 1.00 22.33 O ATOM 309 CB VAL A 19 -17.996 22.887 -18.101 1.00 71.03 C ATOM 310 CG1 VAL A 19 -18.628 23.208 -19.447 1.00 70.12 C ATOM 311 CG2 VAL A 19 -17.078 21.679 -18.209 1.00 4.23 C ATOM 0 H VAL A 19 -16.505 22.779 -16.107 1.00 31.23 H new ATOM 0 HA VAL A 19 -16.539 24.463 -18.332 1.00 74.53 H new ATOM 0 HB VAL A 19 -18.795 22.646 -17.399 1.00 71.03 H new ATOM 0 HG11 VAL A 19 -19.170 22.335 -19.812 1.00 70.12 H new ATOM 0 HG12 VAL A 19 -19.319 24.043 -19.334 1.00 70.12 H new ATOM 0 HG13 VAL A 19 -17.849 23.476 -20.160 1.00 70.12 H new ATOM 0 HG21 VAL A 19 -17.641 20.827 -18.591 1.00 4.23 H new ATOM 0 HG22 VAL A 19 -16.257 21.906 -18.889 1.00 4.23 H new ATOM 0 HG23 VAL A 19 -16.678 21.437 -17.224 1.00 4.23 H new ATOM 321 N ARG A 20 -19.076 24.942 -16.241 1.00 40.31 N ATOM 322 CA ARG A 20 -20.076 25.914 -15.816 1.00 32.02 C ATOM 323 C ARG A 20 -20.546 25.624 -14.393 1.00 62.43 C ATOM 324 O ARG A 20 -19.978 24.779 -13.700 1.00 50.14 O ATOM 325 CB ARG A 20 -21.271 25.900 -16.771 1.00 63.25 C ATOM 326 CG ARG A 20 -21.990 24.562 -16.828 1.00 65.21 C ATOM 327 CD ARG A 20 -21.610 23.778 -18.075 1.00 33.13 C ATOM 328 NE ARG A 20 -22.705 23.721 -19.040 1.00 1.41 N ATOM 329 CZ ARG A 20 -22.849 22.747 -19.932 1.00 2.53 C ATOM 330 NH1 ARG A 20 -21.972 21.754 -19.980 1.00 74.23 N ATOM 331 NH2 ARG A 20 -23.872 22.766 -20.777 1.00 25.01 N ATOM 0 H ARG A 20 -19.101 24.060 -15.730 1.00 40.31 H new ATOM 0 HA ARG A 20 -19.616 26.902 -15.835 1.00 32.02 H new ATOM 0 HB2 ARG A 20 -21.979 26.670 -16.465 1.00 63.25 H new ATOM 0 HB3 ARG A 20 -20.928 26.162 -17.772 1.00 63.25 H new ATOM 0 HG2 ARG A 20 -21.745 23.978 -15.941 1.00 65.21 H new ATOM 0 HG3 ARG A 20 -23.068 24.726 -16.814 1.00 65.21 H new ATOM 0 HD2 ARG A 20 -20.739 24.239 -18.542 1.00 33.13 H new ATOM 0 HD3 ARG A 20 -21.322 22.765 -17.793 1.00 33.13 H new ATOM 0 HE ARG A 20 -23.397 24.470 -19.028 1.00 1.41 H new ATOM 0 HH11 ARG A 20 -21.185 21.737 -19.331 1.00 74.23 H new ATOM 0 HH12 ARG A 20 -22.084 21.007 -20.666 1.00 74.23 H new ATOM 0 HH21 ARG A 20 -24.548 23.529 -20.742 1.00 25.01 H new ATOM 0 HH22 ARG A 20 -23.982 22.018 -21.462 1.00 25.01 H new ATOM 345 N LYS A 21 -21.586 26.330 -13.964 1.00 31.35 N ATOM 346 CA LYS A 21 -22.134 26.149 -12.624 1.00 62.44 C ATOM 347 C LYS A 21 -23.598 26.573 -12.573 1.00 71.35 C ATOM 348 O LYS A 21 -24.053 27.372 -13.392 1.00 63.02 O ATOM 349 CB LYS A 21 -21.323 26.954 -11.606 1.00 61.43 C ATOM 350 CG LYS A 21 -21.534 28.454 -11.710 1.00 54.11 C ATOM 351 CD LYS A 21 -21.044 29.174 -10.465 1.00 35.33 C ATOM 352 CE LYS A 21 -22.000 30.282 -10.049 1.00 44.25 C ATOM 353 NZ LYS A 21 -21.314 31.335 -9.250 1.00 63.20 N ATOM 0 H LYS A 21 -22.067 27.033 -14.525 1.00 31.35 H new ATOM 0 HA LYS A 21 -22.072 25.090 -12.373 1.00 62.44 H new ATOM 0 HB2 LYS A 21 -21.590 26.627 -10.601 1.00 61.43 H new ATOM 0 HB3 LYS A 21 -20.264 26.734 -11.742 1.00 61.43 H new ATOM 0 HG2 LYS A 21 -21.007 28.837 -12.584 1.00 54.11 H new ATOM 0 HG3 LYS A 21 -22.593 28.664 -11.860 1.00 54.11 H new ATOM 0 HD2 LYS A 21 -20.936 28.460 -9.649 1.00 35.33 H new ATOM 0 HD3 LYS A 21 -20.056 29.595 -10.652 1.00 35.33 H new ATOM 0 HE2 LYS A 21 -22.444 30.731 -10.937 1.00 44.25 H new ATOM 0 HE3 LYS A 21 -22.816 29.857 -9.465 1.00 44.25 H new ATOM 0 HZ1 LYS A 21 -21.999 32.072 -8.986 1.00 63.20 H new ATOM 0 HZ2 LYS A 21 -20.912 30.911 -8.389 1.00 63.20 H new ATOM 0 HZ3 LYS A 21 -20.551 31.758 -9.816 1.00 63.20 H new ATOM 367 N LYS A 22 -24.332 26.034 -11.606 1.00 31.50 N ATOM 368 CA LYS A 22 -25.745 26.358 -11.446 1.00 24.44 C ATOM 369 C LYS A 22 -26.294 25.771 -10.149 1.00 63.22 C ATOM 370 O LYS A 22 -25.892 24.685 -9.729 1.00 41.15 O ATOM 371 CB LYS A 22 -26.548 25.831 -12.637 1.00 13.12 C ATOM 372 CG LYS A 22 -26.747 24.325 -12.619 1.00 2.42 C ATOM 373 CD LYS A 22 -28.189 23.957 -12.316 1.00 33.33 C ATOM 374 CE LYS A 22 -28.902 23.431 -13.552 1.00 63.43 C ATOM 375 NZ LYS A 22 -30.380 23.570 -13.442 1.00 53.11 N ATOM 0 H LYS A 22 -23.972 25.370 -10.920 1.00 31.50 H new ATOM 0 HA LYS A 22 -25.841 27.443 -11.403 1.00 24.44 H new ATOM 0 HB2 LYS A 22 -27.523 26.318 -12.651 1.00 13.12 H new ATOM 0 HB3 LYS A 22 -26.039 26.111 -13.560 1.00 13.12 H new ATOM 0 HG2 LYS A 22 -26.459 23.907 -13.584 1.00 2.42 H new ATOM 0 HG3 LYS A 22 -26.092 23.879 -11.870 1.00 2.42 H new ATOM 0 HD2 LYS A 22 -28.215 23.202 -11.531 1.00 33.33 H new ATOM 0 HD3 LYS A 22 -28.716 24.832 -11.935 1.00 33.33 H new ATOM 0 HE2 LYS A 22 -28.551 23.972 -14.431 1.00 63.43 H new ATOM 0 HE3 LYS A 22 -28.646 22.382 -13.700 1.00 63.43 H new ATOM 0 HZ1 LYS A 22 -30.829 23.200 -14.304 1.00 53.11 H new ATOM 0 HZ2 LYS A 22 -30.719 23.033 -12.618 1.00 53.11 H new ATOM 0 HZ3 LYS A 22 -30.627 24.574 -13.327 1.00 53.11 H new ATOM 389 N ILE A 23 -27.214 26.494 -9.521 1.00 11.23 N ATOM 390 CA ILE A 23 -27.819 26.043 -8.274 1.00 14.11 C ATOM 391 C ILE A 23 -29.281 25.661 -8.479 1.00 73.12 C ATOM 392 O ILE A 23 -29.962 26.211 -9.345 1.00 15.14 O ATOM 393 CB ILE A 23 -27.732 27.125 -7.182 1.00 10.53 C ATOM 394 CG1 ILE A 23 -28.869 28.137 -7.343 1.00 60.40 C ATOM 395 CG2 ILE A 23 -26.382 27.825 -7.236 1.00 71.01 C ATOM 396 CD1 ILE A 23 -30.085 27.818 -6.501 1.00 41.05 C ATOM 0 H ILE A 23 -27.557 27.395 -9.855 1.00 11.23 H new ATOM 0 HA ILE A 23 -27.258 25.166 -7.951 1.00 14.11 H new ATOM 0 HB ILE A 23 -27.833 26.646 -6.208 1.00 10.53 H new ATOM 0 HG12 ILE A 23 -28.503 29.128 -7.077 1.00 60.40 H new ATOM 0 HG13 ILE A 23 -29.163 28.177 -8.392 1.00 60.40 H new ATOM 0 HG21 ILE A 23 -26.336 28.587 -6.458 1.00 71.01 H new ATOM 0 HG22 ILE A 23 -25.587 27.096 -7.077 1.00 71.01 H new ATOM 0 HG23 ILE A 23 -26.254 28.294 -8.211 1.00 71.01 H new ATOM 0 HD11 ILE A 23 -30.850 28.576 -6.665 1.00 41.05 H new ATOM 0 HD12 ILE A 23 -30.476 26.840 -6.783 1.00 41.05 H new ATOM 0 HD13 ILE A 23 -29.805 27.807 -5.448 1.00 41.05 H new ATOM 408 N VAL A 24 -29.759 24.715 -7.676 1.00 45.22 N ATOM 409 CA VAL A 24 -31.141 24.261 -7.767 1.00 61.22 C ATOM 410 C VAL A 24 -31.761 24.108 -6.383 1.00 74.21 C ATOM 411 O VAL A 24 -31.248 23.373 -5.538 1.00 50.34 O ATOM 412 CB VAL A 24 -31.242 22.918 -8.515 1.00 32.14 C ATOM 413 CG1 VAL A 24 -32.492 22.881 -9.380 1.00 54.33 C ATOM 414 CG2 VAL A 24 -29.996 22.680 -9.353 1.00 43.15 C ATOM 0 H VAL A 24 -29.209 24.248 -6.955 1.00 45.22 H new ATOM 0 HA VAL A 24 -31.688 25.021 -8.325 1.00 61.22 H new ATOM 0 HB VAL A 24 -31.315 22.117 -7.779 1.00 32.14 H new ATOM 0 HG11 VAL A 24 -32.546 21.925 -9.901 1.00 54.33 H new ATOM 0 HG12 VAL A 24 -33.374 23.002 -8.751 1.00 54.33 H new ATOM 0 HG13 VAL A 24 -32.454 23.690 -10.110 1.00 54.33 H new ATOM 0 HG21 VAL A 24 -30.085 21.727 -9.874 1.00 43.15 H new ATOM 0 HG22 VAL A 24 -29.889 23.484 -10.082 1.00 43.15 H new ATOM 0 HG23 VAL A 24 -29.120 22.659 -8.705 1.00 43.15 H new ATOM 424 N HIS A 25 -32.870 24.806 -6.157 1.00 61.20 N ATOM 425 CA HIS A 25 -33.562 24.747 -4.875 1.00 33.24 C ATOM 426 C HIS A 25 -32.623 25.122 -3.732 1.00 61.33 C ATOM 427 O HIS A 25 -32.826 24.714 -2.589 1.00 41.34 O ATOM 428 CB HIS A 25 -34.133 23.347 -4.643 1.00 4.20 C ATOM 429 CG HIS A 25 -35.469 23.349 -3.966 1.00 44.41 C ATOM 430 ND1 HIS A 25 -36.551 22.634 -4.434 1.00 64.02 N ATOM 431 CD2 HIS A 25 -35.894 23.984 -2.849 1.00 11.11 C ATOM 432 CE1 HIS A 25 -37.584 22.830 -3.635 1.00 72.01 C ATOM 433 NE2 HIS A 25 -37.212 23.645 -2.665 1.00 10.22 N ATOM 0 H HIS A 25 -33.308 25.419 -6.845 1.00 61.20 H new ATOM 0 HA HIS A 25 -34.381 25.466 -4.899 1.00 33.24 H new ATOM 0 HB2 HIS A 25 -34.222 22.836 -5.602 1.00 4.20 H new ATOM 0 HB3 HIS A 25 -33.430 22.772 -4.040 1.00 4.20 H new ATOM 0 HD2 HIS A 25 -35.306 24.636 -2.220 1.00 11.11 H new ATOM 0 HE1 HIS A 25 -38.566 22.397 -3.755 1.00 72.01 H new ATOM 0 HE2 HIS A 25 -37.807 23.970 -1.903 1.00 10.22 H new ATOM 441 N GLY A 26 -31.593 25.901 -4.050 1.00 72.43 N ATOM 442 CA GLY A 26 -30.638 26.316 -3.040 1.00 43.32 C ATOM 443 C GLY A 26 -29.427 25.406 -2.978 1.00 40.41 C ATOM 444 O GLY A 26 -28.604 25.518 -2.070 1.00 53.33 O ATOM 0 H GLY A 26 -31.404 26.252 -4.989 1.00 72.43 H new ATOM 0 HA2 GLY A 26 -30.312 27.335 -3.249 1.00 43.32 H new ATOM 0 HA3 GLY A 26 -31.127 26.331 -2.066 1.00 43.32 H new ATOM 448 N ASN A 27 -29.318 24.501 -3.945 1.00 54.55 N ATOM 449 CA ASN A 27 -28.200 23.567 -3.996 1.00 32.45 C ATOM 450 C ASN A 27 -27.268 23.896 -5.157 1.00 62.54 C ATOM 451 O ASN A 27 -27.588 23.636 -6.318 1.00 43.41 O ATOM 452 CB ASN A 27 -28.714 22.132 -4.130 1.00 22.44 C ATOM 453 CG ASN A 27 -29.701 21.767 -3.038 1.00 73.41 C ATOM 454 OD1 ASN A 27 -29.735 22.395 -1.980 1.00 41.53 O ATOM 455 ND2 ASN A 27 -30.512 20.745 -3.291 1.00 4.30 N ATOM 0 H ASN A 27 -29.991 24.395 -4.704 1.00 54.55 H new ATOM 0 HA ASN A 27 -27.639 23.660 -3.066 1.00 32.45 H new ATOM 0 HB2 ASN A 27 -29.191 22.009 -5.103 1.00 22.44 H new ATOM 0 HB3 ASN A 27 -27.870 21.442 -4.099 1.00 22.44 H new ATOM 0 HD21 ASN A 27 -31.197 20.453 -2.594 1.00 4.30 H new ATOM 0 HD22 ASN A 27 -30.449 20.253 -4.182 1.00 4.30 H new ATOM 462 N THR A 28 -26.111 24.468 -4.837 1.00 73.04 N ATOM 463 CA THR A 28 -25.132 24.833 -5.853 1.00 52.03 C ATOM 464 C THR A 28 -24.525 23.594 -6.502 1.00 51.40 C ATOM 465 O THR A 28 -24.305 22.580 -5.840 1.00 43.12 O ATOM 466 CB THR A 28 -24.001 25.694 -5.260 1.00 14.32 C ATOM 467 OG1 THR A 28 -24.525 26.558 -4.245 1.00 3.40 O ATOM 468 CG2 THR A 28 -23.329 26.525 -6.342 1.00 65.44 C ATOM 0 H THR A 28 -25.829 24.688 -3.882 1.00 73.04 H new ATOM 0 HA THR A 28 -25.662 25.413 -6.608 1.00 52.03 H new ATOM 0 HB THR A 28 -23.258 25.027 -4.822 1.00 14.32 H new ATOM 0 HG1 THR A 28 -23.800 27.101 -3.871 1.00 3.40 H new ATOM 0 HG21 THR A 28 -22.534 27.125 -5.899 1.00 65.44 H new ATOM 0 HG22 THR A 28 -22.906 25.864 -7.099 1.00 65.44 H new ATOM 0 HG23 THR A 28 -24.065 27.183 -6.805 1.00 65.44 H new ATOM 476 N SER A 29 -24.256 23.684 -7.801 1.00 31.34 N ATOM 477 CA SER A 29 -23.677 22.568 -8.540 1.00 3.22 C ATOM 478 C SER A 29 -22.654 23.064 -9.558 1.00 21.34 C ATOM 479 O SER A 29 -22.952 23.925 -10.385 1.00 51.31 O ATOM 480 CB SER A 29 -24.775 21.773 -9.249 1.00 1.41 C ATOM 481 OG SER A 29 -25.717 21.266 -8.320 1.00 75.24 O ATOM 0 H SER A 29 -24.430 24.517 -8.363 1.00 31.34 H new ATOM 0 HA SER A 29 -23.170 21.917 -7.828 1.00 3.22 H new ATOM 0 HB2 SER A 29 -25.281 22.412 -9.973 1.00 1.41 H new ATOM 0 HB3 SER A 29 -24.330 20.949 -9.807 1.00 1.41 H new ATOM 0 HG SER A 29 -26.409 20.763 -8.798 1.00 75.24 H new ATOM 487 N TYR A 30 -21.447 22.513 -9.490 1.00 10.11 N ATOM 488 CA TYR A 30 -20.378 22.900 -10.403 1.00 72.22 C ATOM 489 C TYR A 30 -20.178 21.844 -11.486 1.00 21.21 C ATOM 490 O TYR A 30 -19.922 20.676 -11.191 1.00 22.41 O ATOM 491 CB TYR A 30 -19.073 23.111 -9.634 1.00 11.32 C ATOM 492 CG TYR A 30 -18.961 24.478 -8.996 1.00 21.41 C ATOM 493 CD1 TYR A 30 -19.989 24.986 -8.211 1.00 25.44 C ATOM 494 CD2 TYR A 30 -17.828 25.261 -9.179 1.00 71.21 C ATOM 495 CE1 TYR A 30 -19.891 26.234 -7.626 1.00 61.42 C ATOM 496 CE2 TYR A 30 -17.721 26.509 -8.597 1.00 52.25 C ATOM 497 CZ TYR A 30 -18.755 26.991 -7.822 1.00 51.32 C ATOM 498 OH TYR A 30 -18.653 28.235 -7.242 1.00 40.03 O ATOM 0 H TYR A 30 -21.185 21.797 -8.812 1.00 10.11 H new ATOM 0 HA TYR A 30 -20.665 23.836 -10.882 1.00 72.22 H new ATOM 0 HB2 TYR A 30 -18.991 22.349 -8.859 1.00 11.32 H new ATOM 0 HB3 TYR A 30 -18.233 22.966 -10.313 1.00 11.32 H new ATOM 0 HD1 TYR A 30 -20.880 24.395 -8.055 1.00 25.44 H new ATOM 0 HD2 TYR A 30 -17.017 24.887 -9.787 1.00 71.21 H new ATOM 0 HE1 TYR A 30 -20.699 26.614 -7.019 1.00 61.42 H new ATOM 0 HE2 TYR A 30 -16.833 27.104 -8.748 1.00 52.25 H new ATOM 0 HH TYR A 30 -19.202 28.264 -6.431 1.00 40.03 H new ATOM 508 N LEU A 31 -20.296 22.263 -12.741 1.00 1.12 N ATOM 509 CA LEU A 31 -20.127 21.355 -13.870 1.00 34.00 C ATOM 510 C LEU A 31 -18.695 21.395 -14.392 1.00 3.01 C ATOM 511 O LEU A 31 -18.255 22.399 -14.952 1.00 5.22 O ATOM 512 CB LEU A 31 -21.101 21.719 -14.992 1.00 74.31 C ATOM 513 CG LEU A 31 -21.453 20.594 -15.966 1.00 73.22 C ATOM 514 CD1 LEU A 31 -21.602 19.274 -15.226 1.00 64.40 C ATOM 515 CD2 LEU A 31 -22.728 20.927 -16.727 1.00 72.23 C ATOM 0 H LEU A 31 -20.508 23.226 -13.003 1.00 1.12 H new ATOM 0 HA LEU A 31 -20.340 20.343 -13.526 1.00 34.00 H new ATOM 0 HB2 LEU A 31 -22.024 22.084 -14.541 1.00 74.31 H new ATOM 0 HB3 LEU A 31 -20.676 22.546 -15.561 1.00 74.31 H new ATOM 0 HG LEU A 31 -20.640 20.494 -16.685 1.00 73.22 H new ATOM 0 HD11 LEU A 31 -21.853 18.485 -15.936 1.00 64.40 H new ATOM 0 HD12 LEU A 31 -20.664 19.029 -14.727 1.00 64.40 H new ATOM 0 HD13 LEU A 31 -22.396 19.360 -14.484 1.00 64.40 H new ATOM 0 HD21 LEU A 31 -22.963 20.115 -17.416 1.00 72.23 H new ATOM 0 HD22 LEU A 31 -23.550 21.055 -16.022 1.00 72.23 H new ATOM 0 HD23 LEU A 31 -22.586 21.850 -17.289 1.00 72.23 H new ATOM 527 N VAL A 32 -17.972 20.295 -14.206 1.00 43.04 N ATOM 528 CA VAL A 32 -16.590 20.203 -14.661 1.00 64.23 C ATOM 529 C VAL A 32 -16.408 19.045 -15.637 1.00 12.33 C ATOM 530 O VAL A 32 -17.057 18.006 -15.513 1.00 11.43 O ATOM 531 CB VAL A 32 -15.620 20.020 -13.478 1.00 74.43 C ATOM 532 CG1 VAL A 32 -15.700 18.600 -12.937 1.00 55.31 C ATOM 533 CG2 VAL A 32 -14.198 20.360 -13.898 1.00 32.43 C ATOM 0 H VAL A 32 -18.321 19.455 -13.743 1.00 43.04 H new ATOM 0 HA VAL A 32 -16.361 21.141 -15.167 1.00 64.23 H new ATOM 0 HB VAL A 32 -15.912 20.704 -12.681 1.00 74.43 H new ATOM 0 HG11 VAL A 32 -15.008 18.489 -12.102 1.00 55.31 H new ATOM 0 HG12 VAL A 32 -16.715 18.397 -12.596 1.00 55.31 H new ATOM 0 HG13 VAL A 32 -15.434 17.895 -13.725 1.00 55.31 H new ATOM 0 HG21 VAL A 32 -13.526 20.225 -13.050 1.00 32.43 H new ATOM 0 HG22 VAL A 32 -13.892 19.702 -14.712 1.00 32.43 H new ATOM 0 HG23 VAL A 32 -14.156 21.396 -14.233 1.00 32.43 H new ATOM 543 N LYS A 33 -15.521 19.231 -16.608 1.00 43.00 N ATOM 544 CA LYS A 33 -15.251 18.202 -17.605 1.00 42.34 C ATOM 545 C LYS A 33 -14.050 17.353 -17.200 1.00 41.54 C ATOM 546 O LYS A 33 -13.618 17.383 -16.048 1.00 45.32 O ATOM 547 CB LYS A 33 -14.999 18.842 -18.973 1.00 3.04 C ATOM 548 CG LYS A 33 -13.833 19.816 -18.983 1.00 31.22 C ATOM 549 CD LYS A 33 -13.731 20.550 -20.309 1.00 72.34 C ATOM 550 CE LYS A 33 -14.710 21.712 -20.380 1.00 5.22 C ATOM 551 NZ LYS A 33 -14.501 22.540 -21.600 1.00 63.21 N ATOM 0 H LYS A 33 -14.976 20.085 -16.726 1.00 43.00 H new ATOM 0 HA LYS A 33 -16.126 17.555 -17.669 1.00 42.34 H new ATOM 0 HB2 LYS A 33 -14.811 18.055 -19.704 1.00 3.04 H new ATOM 0 HB3 LYS A 33 -15.901 19.364 -19.292 1.00 3.04 H new ATOM 0 HG2 LYS A 33 -13.954 20.538 -18.175 1.00 31.22 H new ATOM 0 HG3 LYS A 33 -12.905 19.276 -18.793 1.00 31.22 H new ATOM 0 HD2 LYS A 33 -12.715 20.920 -20.444 1.00 72.34 H new ATOM 0 HD3 LYS A 33 -13.928 19.856 -21.126 1.00 72.34 H new ATOM 0 HE2 LYS A 33 -15.730 21.328 -20.372 1.00 5.22 H new ATOM 0 HE3 LYS A 33 -14.597 22.336 -19.494 1.00 5.22 H new ATOM 0 HZ1 LYS A 33 -14.941 23.473 -21.466 1.00 63.21 H new ATOM 0 HZ2 LYS A 33 -13.482 22.659 -21.768 1.00 63.21 H new ATOM 0 HZ3 LYS A 33 -14.934 22.067 -22.419 1.00 63.21 H new ATOM 565 N TRP A 34 -13.516 16.600 -18.154 1.00 63.43 N ATOM 566 CA TRP A 34 -12.363 15.744 -17.896 1.00 73.32 C ATOM 567 C TRP A 34 -11.307 15.910 -18.983 1.00 74.15 C ATOM 568 O TRP A 34 -11.322 15.202 -19.991 1.00 12.30 O ATOM 569 CB TRP A 34 -12.798 14.280 -17.810 1.00 74.11 C ATOM 570 CG TRP A 34 -14.209 14.107 -17.335 1.00 32.53 C ATOM 571 CD1 TRP A 34 -14.735 14.542 -16.152 1.00 2.11 C ATOM 572 CD2 TRP A 34 -15.273 13.449 -18.031 1.00 33.21 C ATOM 573 NE1 TRP A 34 -16.062 14.195 -16.071 1.00 22.21 N ATOM 574 CE2 TRP A 34 -16.417 13.524 -17.211 1.00 45.13 C ATOM 575 CE3 TRP A 34 -15.372 12.806 -19.268 1.00 35.45 C ATOM 576 CZ2 TRP A 34 -17.641 12.979 -17.590 1.00 4.12 C ATOM 577 CZ3 TRP A 34 -16.588 12.265 -19.642 1.00 20.05 C ATOM 578 CH2 TRP A 34 -17.709 12.355 -18.806 1.00 20.03 C ATOM 0 H TRP A 34 -13.862 16.564 -19.113 1.00 63.43 H new ATOM 0 HA TRP A 34 -11.926 16.043 -16.943 1.00 73.32 H new ATOM 0 HB2 TRP A 34 -12.694 13.819 -18.792 1.00 74.11 H new ATOM 0 HB3 TRP A 34 -12.127 13.748 -17.135 1.00 74.11 H new ATOM 0 HD1 TRP A 34 -14.188 15.080 -15.392 1.00 2.11 H new ATOM 0 HE1 TRP A 34 -16.682 14.403 -15.289 1.00 22.21 H new ATOM 0 HE3 TRP A 34 -14.514 12.733 -19.920 1.00 35.45 H new ATOM 0 HZ2 TRP A 34 -18.506 13.046 -16.947 1.00 4.12 H new ATOM 0 HZ3 TRP A 34 -16.675 11.764 -20.595 1.00 20.05 H new ATOM 0 HH2 TRP A 34 -18.645 11.923 -19.128 1.00 20.03 H new ATOM 754 N GLU A 45 -20.821 18.400 -9.953 1.00 22.24 N ATOM 755 CA GLU A 45 -20.266 18.233 -8.614 1.00 72.44 C ATOM 756 C GLU A 45 -20.629 19.417 -7.723 1.00 75.21 C ATOM 757 O GLU A 45 -20.318 20.566 -8.039 1.00 23.43 O ATOM 758 CB GLU A 45 -18.745 18.080 -8.684 1.00 12.30 C ATOM 759 CG GLU A 45 -18.292 16.719 -9.183 1.00 31.51 C ATOM 760 CD GLU A 45 -17.620 15.895 -8.101 1.00 72.14 C ATOM 761 OE1 GLU A 45 -16.862 16.476 -7.297 1.00 53.00 O ATOM 762 OE2 GLU A 45 -17.853 14.669 -8.060 1.00 32.43 O ATOM 0 HA GLU A 45 -20.695 17.330 -8.180 1.00 72.44 H new ATOM 0 HB2 GLU A 45 -18.341 18.851 -9.340 1.00 12.30 H new ATOM 0 HB3 GLU A 45 -18.325 18.252 -7.693 1.00 12.30 H new ATOM 0 HG2 GLU A 45 -19.153 16.173 -9.569 1.00 31.51 H new ATOM 0 HG3 GLU A 45 -17.600 16.853 -10.015 1.00 31.51 H new ATOM 769 N THR A 46 -21.292 19.129 -6.607 1.00 21.40 N ATOM 770 CA THR A 46 -21.700 20.168 -5.670 1.00 62.13 C ATOM 771 C THR A 46 -20.576 21.172 -5.439 1.00 20.50 C ATOM 772 O THR A 46 -19.398 20.826 -5.518 1.00 43.04 O ATOM 773 CB THR A 46 -22.124 19.569 -4.316 1.00 74.23 C ATOM 774 OG1 THR A 46 -21.550 18.267 -4.155 1.00 3.23 O ATOM 775 CG2 THR A 46 -23.640 19.476 -4.217 1.00 65.50 C ATOM 0 H THR A 46 -21.558 18.184 -6.330 1.00 21.40 H new ATOM 0 HA THR A 46 -22.554 20.678 -6.116 1.00 62.13 H new ATOM 0 HB THR A 46 -21.763 20.225 -3.524 1.00 74.23 H new ATOM 0 HG1 THR A 46 -21.823 17.894 -3.291 1.00 3.23 H new ATOM 0 HG21 THR A 46 -23.916 19.050 -3.252 1.00 65.50 H new ATOM 0 HG22 THR A 46 -24.073 20.472 -4.311 1.00 65.50 H new ATOM 0 HG23 THR A 46 -24.018 18.839 -5.017 1.00 65.50 H new ATOM 783 N GLU A 47 -20.949 22.415 -5.152 1.00 22.11 N ATOM 784 CA GLU A 47 -19.970 23.468 -4.909 1.00 51.32 C ATOM 785 C GLU A 47 -19.063 23.109 -3.736 1.00 35.34 C ATOM 786 O GLU A 47 -17.941 23.602 -3.631 1.00 4.42 O ATOM 787 CB GLU A 47 -20.676 24.797 -4.634 1.00 13.43 C ATOM 788 CG GLU A 47 -19.779 25.842 -3.991 1.00 61.31 C ATOM 789 CD GLU A 47 -20.484 27.168 -3.783 1.00 2.03 C ATOM 790 OE1 GLU A 47 -20.468 28.000 -4.714 1.00 53.11 O ATOM 791 OE2 GLU A 47 -21.050 27.374 -2.689 1.00 52.33 O ATOM 0 H GLU A 47 -21.921 22.717 -5.082 1.00 22.11 H new ATOM 0 HA GLU A 47 -19.355 23.569 -5.803 1.00 51.32 H new ATOM 0 HB2 GLU A 47 -21.066 25.193 -5.572 1.00 13.43 H new ATOM 0 HB3 GLU A 47 -21.532 24.616 -3.984 1.00 13.43 H new ATOM 0 HG2 GLU A 47 -19.424 25.469 -3.030 1.00 61.31 H new ATOM 0 HG3 GLU A 47 -18.900 25.996 -4.617 1.00 61.31 H new ATOM 798 N ASP A 48 -19.559 22.246 -2.855 1.00 55.33 N ATOM 799 CA ASP A 48 -18.795 21.819 -1.689 1.00 11.40 C ATOM 800 C ASP A 48 -18.061 20.512 -1.969 1.00 72.31 C ATOM 801 O ASP A 48 -17.356 19.987 -1.107 1.00 44.52 O ATOM 802 CB ASP A 48 -19.718 21.652 -0.481 1.00 52.00 C ATOM 803 CG ASP A 48 -19.284 22.496 0.701 1.00 3.01 C ATOM 804 OD1 ASP A 48 -18.328 22.094 1.398 1.00 51.40 O ATOM 805 OD2 ASP A 48 -19.899 23.559 0.929 1.00 64.52 O ATOM 0 H ASP A 48 -20.487 21.829 -2.927 1.00 55.33 H new ATOM 0 HA ASP A 48 -18.056 22.589 -1.468 1.00 11.40 H new ATOM 0 HB2 ASP A 48 -20.735 21.924 -0.764 1.00 52.00 H new ATOM 0 HB3 ASP A 48 -19.739 20.603 -0.186 1.00 52.00 H new ATOM 810 N ASP A 49 -18.234 19.990 -3.179 1.00 5.14 N ATOM 811 CA ASP A 49 -17.588 18.743 -3.573 1.00 3.44 C ATOM 812 C ASP A 49 -16.687 18.958 -4.785 1.00 22.40 C ATOM 813 O ASP A 49 -15.941 18.062 -5.182 1.00 71.22 O ATOM 814 CB ASP A 49 -18.638 17.676 -3.884 1.00 52.34 C ATOM 815 CG ASP A 49 -18.116 16.269 -3.668 1.00 14.53 C ATOM 816 OD1 ASP A 49 -17.656 15.974 -2.545 1.00 65.52 O ATOM 817 OD2 ASP A 49 -18.170 15.464 -4.620 1.00 44.14 O ATOM 0 H ASP A 49 -18.816 20.411 -3.903 1.00 5.14 H new ATOM 0 HA ASP A 49 -16.972 18.402 -2.741 1.00 3.44 H new ATOM 0 HB2 ASP A 49 -19.513 17.837 -3.254 1.00 52.34 H new ATOM 0 HB3 ASP A 49 -18.966 17.784 -4.918 1.00 52.34 H new ATOM 822 N ILE A 50 -16.762 20.149 -5.369 1.00 33.14 N ATOM 823 CA ILE A 50 -15.954 20.480 -6.535 1.00 62.03 C ATOM 824 C ILE A 50 -14.703 21.255 -6.135 1.00 51.33 C ATOM 825 O ILE A 50 -13.650 21.119 -6.759 1.00 12.23 O ATOM 826 CB ILE A 50 -16.753 21.309 -7.557 1.00 54.53 C ATOM 827 CG1 ILE A 50 -15.916 21.554 -8.815 1.00 15.55 C ATOM 828 CG2 ILE A 50 -17.192 22.629 -6.941 1.00 11.41 C ATOM 829 CD1 ILE A 50 -16.371 20.747 -10.010 1.00 54.21 C ATOM 0 H ILE A 50 -17.375 20.901 -5.053 1.00 33.14 H new ATOM 0 HA ILE A 50 -15.662 19.536 -6.995 1.00 62.03 H new ATOM 0 HB ILE A 50 -17.644 20.748 -7.840 1.00 54.53 H new ATOM 0 HG12 ILE A 50 -15.955 22.614 -9.067 1.00 15.55 H new ATOM 0 HG13 ILE A 50 -14.874 21.315 -8.601 1.00 15.55 H new ATOM 0 HG21 ILE A 50 -17.756 23.204 -7.676 1.00 11.41 H new ATOM 0 HG22 ILE A 50 -17.821 22.434 -6.073 1.00 11.41 H new ATOM 0 HG23 ILE A 50 -16.314 23.196 -6.633 1.00 11.41 H new ATOM 0 HD11 ILE A 50 -15.733 20.971 -10.865 1.00 54.21 H new ATOM 0 HD12 ILE A 50 -16.306 19.684 -9.777 1.00 54.21 H new ATOM 0 HD13 ILE A 50 -17.403 21.003 -10.250 1.00 54.21 H new ATOM 841 N ARG A 51 -14.826 22.067 -5.091 1.00 2.44 N ATOM 842 CA ARG A 51 -13.705 22.864 -4.606 1.00 51.34 C ATOM 843 C ARG A 51 -12.765 22.018 -3.752 1.00 54.32 C ATOM 844 O ARG A 51 -11.616 22.392 -3.517 1.00 1.41 O ATOM 845 CB ARG A 51 -14.213 24.058 -3.796 1.00 20.04 C ATOM 846 CG ARG A 51 -14.277 23.795 -2.300 1.00 2.31 C ATOM 847 CD ARG A 51 -15.382 22.809 -1.954 1.00 45.30 C ATOM 848 NE ARG A 51 -15.276 22.329 -0.579 1.00 65.41 N ATOM 849 CZ ARG A 51 -15.529 23.083 0.485 1.00 71.33 C ATOM 850 NH1 ARG A 51 -15.902 24.346 0.332 1.00 31.13 N ATOM 851 NH2 ARG A 51 -15.410 22.573 1.704 1.00 14.31 N ATOM 0 H ARG A 51 -15.691 22.191 -4.564 1.00 2.44 H new ATOM 0 HA ARG A 51 -13.151 23.230 -5.471 1.00 51.34 H new ATOM 0 HB2 ARG A 51 -13.563 24.913 -3.979 1.00 20.04 H new ATOM 0 HB3 ARG A 51 -15.207 24.331 -4.151 1.00 20.04 H new ATOM 0 HG2 ARG A 51 -13.319 23.404 -1.957 1.00 2.31 H new ATOM 0 HG3 ARG A 51 -14.446 24.733 -1.772 1.00 2.31 H new ATOM 0 HD2 ARG A 51 -16.352 23.286 -2.098 1.00 45.30 H new ATOM 0 HD3 ARG A 51 -15.339 21.962 -2.638 1.00 45.30 H new ATOM 0 HE ARG A 51 -14.992 21.361 -0.427 1.00 65.41 H new ATOM 0 HH11 ARG A 51 -15.995 24.740 -0.604 1.00 31.13 H new ATOM 0 HH12 ARG A 51 -16.096 24.923 1.150 1.00 31.13 H new ATOM 0 HH21 ARG A 51 -15.124 21.601 1.825 1.00 14.31 H new ATOM 0 HH22 ARG A 51 -15.604 23.153 2.521 1.00 14.31 H new ATOM 865 N THR A 52 -13.262 20.875 -3.289 1.00 52.34 N ATOM 866 CA THR A 52 -12.469 19.977 -2.460 1.00 43.12 C ATOM 867 C THR A 52 -11.674 18.997 -3.316 1.00 12.02 C ATOM 868 O THR A 52 -10.568 18.595 -2.953 1.00 74.13 O ATOM 869 CB THR A 52 -13.356 19.185 -1.482 1.00 72.40 C ATOM 870 OG1 THR A 52 -12.544 18.344 -0.655 1.00 31.12 O ATOM 871 CG2 THR A 52 -14.369 18.336 -2.236 1.00 52.41 C ATOM 0 H THR A 52 -14.211 20.550 -3.475 1.00 52.34 H new ATOM 0 HA THR A 52 -11.779 20.599 -1.890 1.00 43.12 H new ATOM 0 HB THR A 52 -13.895 19.897 -0.857 1.00 72.40 H new ATOM 0 HG1 THR A 52 -13.116 17.845 -0.035 1.00 31.12 H new ATOM 0 HG21 THR A 52 -14.984 17.786 -1.524 1.00 52.41 H new ATOM 0 HG22 THR A 52 -15.005 18.981 -2.842 1.00 52.41 H new ATOM 0 HG23 THR A 52 -13.845 17.632 -2.882 1.00 52.41 H new ATOM 879 N LYS A 53 -12.244 18.616 -4.454 1.00 60.20 N ATOM 880 CA LYS A 53 -11.588 17.684 -5.364 1.00 35.23 C ATOM 881 C LYS A 53 -10.969 18.422 -6.546 1.00 52.20 C ATOM 882 O LYS A 53 -9.950 17.997 -7.091 1.00 12.10 O ATOM 883 CB LYS A 53 -12.589 16.641 -5.867 1.00 54.53 C ATOM 884 CG LYS A 53 -13.503 16.100 -4.781 1.00 4.41 C ATOM 885 CD LYS A 53 -12.708 15.512 -3.627 1.00 34.21 C ATOM 886 CE LYS A 53 -11.928 14.280 -4.059 1.00 23.03 C ATOM 887 NZ LYS A 53 -10.458 14.478 -3.921 1.00 12.20 N ATOM 0 H LYS A 53 -13.159 18.938 -4.768 1.00 60.20 H new ATOM 0 HA LYS A 53 -10.792 17.180 -4.816 1.00 35.23 H new ATOM 0 HB2 LYS A 53 -13.198 17.085 -6.655 1.00 54.53 H new ATOM 0 HB3 LYS A 53 -12.042 15.812 -6.316 1.00 54.53 H new ATOM 0 HG2 LYS A 53 -14.145 16.900 -4.412 1.00 4.41 H new ATOM 0 HG3 LYS A 53 -14.156 15.335 -5.201 1.00 4.41 H new ATOM 0 HD2 LYS A 53 -12.019 16.262 -3.238 1.00 34.21 H new ATOM 0 HD3 LYS A 53 -13.385 15.249 -2.814 1.00 34.21 H new ATOM 0 HE2 LYS A 53 -12.237 13.425 -3.458 1.00 23.03 H new ATOM 0 HE3 LYS A 53 -12.167 14.044 -5.096 1.00 23.03 H new ATOM 0 HZ1 LYS A 53 -9.973 13.564 -4.027 1.00 12.20 H new ATOM 0 HZ2 LYS A 53 -10.126 15.134 -4.656 1.00 12.20 H new ATOM 0 HZ3 LYS A 53 -10.248 14.874 -2.983 1.00 12.20 H new ATOM 901 N TYR A 54 -11.590 19.530 -6.937 1.00 22.34 N ATOM 902 CA TYR A 54 -11.100 20.327 -8.055 1.00 63.40 C ATOM 903 C TYR A 54 -10.928 21.787 -7.649 1.00 54.34 C ATOM 904 O TYR A 54 -11.106 22.694 -8.462 1.00 2.03 O ATOM 905 CB TYR A 54 -12.060 20.224 -9.241 1.00 13.30 C ATOM 906 CG TYR A 54 -12.620 18.835 -9.448 1.00 55.35 C ATOM 907 CD1 TYR A 54 -11.823 17.810 -9.941 1.00 63.14 C ATOM 908 CD2 TYR A 54 -13.947 18.548 -9.153 1.00 12.33 C ATOM 909 CE1 TYR A 54 -12.330 16.539 -10.133 1.00 51.44 C ATOM 910 CE2 TYR A 54 -14.463 17.280 -9.340 1.00 2.50 C ATOM 911 CZ TYR A 54 -13.650 16.280 -9.831 1.00 35.43 C ATOM 912 OH TYR A 54 -14.161 15.016 -10.020 1.00 64.31 O ATOM 0 H TYR A 54 -12.434 19.896 -6.496 1.00 22.34 H new ATOM 0 HA TYR A 54 -10.127 19.934 -8.350 1.00 63.40 H new ATOM 0 HB2 TYR A 54 -12.885 20.921 -9.091 1.00 13.30 H new ATOM 0 HB3 TYR A 54 -11.540 20.536 -10.147 1.00 13.30 H new ATOM 0 HD1 TYR A 54 -10.789 18.010 -10.179 1.00 63.14 H new ATOM 0 HD2 TYR A 54 -14.587 19.330 -8.771 1.00 12.33 H new ATOM 0 HE1 TYR A 54 -11.696 15.753 -10.517 1.00 51.44 H new ATOM 0 HE2 TYR A 54 -15.496 17.073 -9.103 1.00 2.50 H new ATOM 0 HH TYR A 54 -15.105 15.002 -9.758 1.00 64.31 H new ATOM 922 N GLY A 55 -10.581 22.007 -6.385 1.00 31.12 N ATOM 923 CA GLY A 55 -10.391 23.358 -5.892 1.00 4.42 C ATOM 924 C GLY A 55 -9.405 24.148 -6.731 1.00 15.14 C ATOM 925 O GLY A 55 -9.393 25.379 -6.691 1.00 61.55 O ATOM 0 H GLY A 55 -10.428 21.273 -5.693 1.00 31.12 H new ATOM 0 HA2 GLY A 55 -11.350 23.876 -5.881 1.00 4.42 H new ATOM 0 HA3 GLY A 55 -10.037 23.319 -4.862 1.00 4.42 H new ATOM 929 N ASP A 56 -8.577 23.440 -7.490 1.00 41.01 N ATOM 930 CA ASP A 56 -7.583 24.083 -8.342 1.00 23.51 C ATOM 931 C ASP A 56 -8.255 24.939 -9.411 1.00 22.42 C ATOM 932 O ASP A 56 -7.945 26.122 -9.559 1.00 70.55 O ATOM 933 CB ASP A 56 -6.688 23.031 -9.001 1.00 14.14 C ATOM 934 CG ASP A 56 -5.252 23.496 -9.135 1.00 65.44 C ATOM 935 OD1 ASP A 56 -5.035 24.715 -9.292 1.00 1.35 O ATOM 936 OD2 ASP A 56 -4.344 22.639 -9.086 1.00 4.24 O ATOM 0 H ASP A 56 -8.574 22.421 -7.533 1.00 41.01 H new ATOM 0 HA ASP A 56 -6.969 24.731 -7.717 1.00 23.51 H new ATOM 0 HB2 ASP A 56 -6.717 22.114 -8.413 1.00 14.14 H new ATOM 0 HB3 ASP A 56 -7.082 22.789 -9.988 1.00 14.14 H new ATOM 941 N LEU A 57 -9.175 24.334 -10.154 1.00 20.44 N ATOM 942 CA LEU A 57 -9.891 25.040 -11.210 1.00 62.05 C ATOM 943 C LEU A 57 -11.060 25.835 -10.639 1.00 1.44 C ATOM 944 O LEU A 57 -11.427 26.885 -11.166 1.00 12.50 O ATOM 945 CB LEU A 57 -10.398 24.050 -12.260 1.00 61.51 C ATOM 946 CG LEU A 57 -10.750 22.652 -11.749 1.00 72.03 C ATOM 947 CD1 LEU A 57 -11.947 22.094 -12.504 1.00 21.23 C ATOM 948 CD2 LEU A 57 -9.554 21.720 -11.878 1.00 72.11 C ATOM 0 H LEU A 57 -9.443 23.356 -10.044 1.00 20.44 H new ATOM 0 HA LEU A 57 -9.198 25.737 -11.681 1.00 62.05 H new ATOM 0 HB2 LEU A 57 -11.283 24.475 -12.734 1.00 61.51 H new ATOM 0 HB3 LEU A 57 -9.637 23.951 -13.035 1.00 61.51 H new ATOM 0 HG LEU A 57 -11.014 22.727 -10.694 1.00 72.03 H new ATOM 0 HD11 LEU A 57 -12.183 21.099 -12.127 1.00 21.23 H new ATOM 0 HD12 LEU A 57 -12.806 22.750 -12.360 1.00 21.23 H new ATOM 0 HD13 LEU A 57 -11.711 22.033 -13.566 1.00 21.23 H new ATOM 0 HD21 LEU A 57 -9.823 20.730 -11.510 1.00 72.11 H new ATOM 0 HD22 LEU A 57 -9.259 21.650 -12.925 1.00 72.11 H new ATOM 0 HD23 LEU A 57 -8.723 22.112 -11.292 1.00 72.11 H new ATOM 960 N VAL A 58 -11.640 25.329 -9.555 1.00 1.00 N ATOM 961 CA VAL A 58 -12.765 25.994 -8.909 1.00 33.31 C ATOM 962 C VAL A 58 -12.432 27.445 -8.581 1.00 22.34 C ATOM 963 O VAL A 58 -13.251 28.341 -8.782 1.00 0.41 O ATOM 964 CB VAL A 58 -13.178 25.268 -7.615 1.00 30.14 C ATOM 965 CG1 VAL A 58 -14.232 26.069 -6.866 1.00 74.20 C ATOM 966 CG2 VAL A 58 -13.683 23.867 -7.927 1.00 50.45 C ATOM 0 H VAL A 58 -11.349 24.461 -9.106 1.00 1.00 H new ATOM 0 HA VAL A 58 -13.596 25.966 -9.614 1.00 33.31 H new ATOM 0 HB VAL A 58 -12.301 25.178 -6.974 1.00 30.14 H new ATOM 0 HG11 VAL A 58 -14.511 25.540 -5.955 1.00 74.20 H new ATOM 0 HG12 VAL A 58 -13.829 27.049 -6.608 1.00 74.20 H new ATOM 0 HG13 VAL A 58 -15.112 26.193 -7.498 1.00 74.20 H new ATOM 0 HG21 VAL A 58 -13.970 23.369 -7.001 1.00 50.45 H new ATOM 0 HG22 VAL A 58 -14.547 23.931 -8.588 1.00 50.45 H new ATOM 0 HG23 VAL A 58 -12.894 23.296 -8.416 1.00 50.45 H new ATOM 976 N ASP A 59 -11.224 27.668 -8.075 1.00 11.33 N ATOM 977 CA ASP A 59 -10.781 29.011 -7.720 1.00 4.44 C ATOM 978 C ASP A 59 -10.329 29.780 -8.958 1.00 32.22 C ATOM 979 O ASP A 59 -9.886 30.924 -8.863 1.00 11.52 O ATOM 980 CB ASP A 59 -9.640 28.943 -6.703 1.00 31.22 C ATOM 981 CG ASP A 59 -10.022 29.543 -5.364 1.00 24.43 C ATOM 982 OD1 ASP A 59 -11.187 29.372 -4.947 1.00 4.00 O ATOM 983 OD2 ASP A 59 -9.155 30.182 -4.732 1.00 22.21 O ATOM 0 H ASP A 59 -10.535 26.937 -7.902 1.00 11.33 H new ATOM 0 HA ASP A 59 -11.624 29.538 -7.274 1.00 4.44 H new ATOM 0 HB2 ASP A 59 -9.345 27.903 -6.561 1.00 31.22 H new ATOM 0 HB3 ASP A 59 -8.772 29.469 -7.099 1.00 31.22 H new ATOM 988 N ASP A 60 -10.444 29.142 -10.118 1.00 1.44 N ATOM 989 CA ASP A 60 -10.048 29.766 -11.375 1.00 64.40 C ATOM 990 C ASP A 60 -11.270 30.115 -12.217 1.00 55.24 C ATOM 991 O ASP A 60 -11.190 30.926 -13.140 1.00 55.31 O ATOM 992 CB ASP A 60 -9.121 28.836 -12.160 1.00 60.20 C ATOM 993 CG ASP A 60 -7.656 29.159 -11.941 1.00 60.32 C ATOM 994 OD1 ASP A 60 -7.172 30.148 -12.530 1.00 75.34 O ATOM 995 OD2 ASP A 60 -6.993 28.422 -11.181 1.00 63.14 O ATOM 0 H ASP A 60 -10.808 28.194 -10.214 1.00 1.44 H new ATOM 0 HA ASP A 60 -9.514 30.688 -11.143 1.00 64.40 H new ATOM 0 HB2 ASP A 60 -9.311 27.804 -11.864 1.00 60.20 H new ATOM 0 HB3 ASP A 60 -9.352 28.910 -13.223 1.00 60.20 H new ATOM 1000 N PHE A 61 -12.402 29.497 -11.894 1.00 65.23 N ATOM 1001 CA PHE A 61 -13.641 29.741 -12.622 1.00 72.14 C ATOM 1002 C PHE A 61 -14.559 30.673 -11.837 1.00 2.21 C ATOM 1003 O PHE A 61 -14.859 31.782 -12.278 1.00 64.14 O ATOM 1004 CB PHE A 61 -14.359 28.420 -12.906 1.00 74.11 C ATOM 1005 CG PHE A 61 -15.737 28.597 -13.478 1.00 10.34 C ATOM 1006 CD1 PHE A 61 -15.916 28.811 -14.835 1.00 12.33 C ATOM 1007 CD2 PHE A 61 -16.853 28.551 -12.657 1.00 61.34 C ATOM 1008 CE1 PHE A 61 -17.183 28.975 -15.364 1.00 23.51 C ATOM 1009 CE2 PHE A 61 -18.122 28.713 -13.181 1.00 24.20 C ATOM 1010 CZ PHE A 61 -18.287 28.926 -14.536 1.00 3.24 C ATOM 0 H PHE A 61 -12.486 28.824 -11.133 1.00 65.23 H new ATOM 0 HA PHE A 61 -13.389 30.220 -13.568 1.00 72.14 H new ATOM 0 HB2 PHE A 61 -13.759 27.832 -13.600 1.00 74.11 H new ATOM 0 HB3 PHE A 61 -14.429 27.848 -11.981 1.00 74.11 H new ATOM 0 HD1 PHE A 61 -15.056 28.850 -15.487 1.00 12.33 H new ATOM 0 HD2 PHE A 61 -16.730 28.387 -11.597 1.00 61.34 H new ATOM 0 HE1 PHE A 61 -17.309 29.141 -16.424 1.00 23.51 H new ATOM 0 HE2 PHE A 61 -18.984 28.673 -12.531 1.00 24.20 H new ATOM 0 HZ PHE A 61 -19.278 29.054 -14.947 1.00 3.24 H new