USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=9 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 Set 1.1: A 53 LYS NZ :NH3+ -168:sc= 0.684 (180deg=0.591) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.005 (180deg=-0.289) 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 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 176:sc= 0.18 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.325 (180deg=-0.484) USER MOD Single : A 46 THR OG1 : rot 173:sc= -1.05 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.535 17.935 -16.932 1.00 12.23 N ATOM 248 CA GLU A 16 -9.059 19.127 -17.623 1.00 53.53 C ATOM 249 C GLU A 16 -9.242 20.369 -16.755 1.00 51.24 C ATOM 250 O GLU A 16 -8.272 20.938 -16.255 1.00 22.35 O ATOM 251 CB GLU A 16 -9.801 19.305 -18.950 1.00 13.14 C ATOM 252 CG GLU A 16 -9.095 20.234 -19.923 1.00 24.33 C ATOM 253 CD GLU A 16 -7.636 19.870 -20.122 1.00 71.50 C ATOM 254 OE1 GLU A 16 -7.366 18.861 -20.807 1.00 25.21 O ATOM 255 OE2 GLU A 16 -6.766 20.592 -19.593 1.00 41.34 O ATOM 0 HA GLU A 16 -7.995 18.999 -17.824 1.00 53.53 H new ATOM 0 HB2 GLU A 16 -9.928 18.329 -19.419 1.00 13.14 H new ATOM 0 HB3 GLU A 16 -10.799 19.694 -18.749 1.00 13.14 H new ATOM 0 HG2 GLU A 16 -9.607 20.205 -20.885 1.00 24.33 H new ATOM 0 HG3 GLU A 16 -9.163 21.258 -19.556 1.00 24.33 H new ATOM 262 N ARG A 17 -10.493 20.784 -16.583 1.00 2.43 N ATOM 263 CA ARG A 17 -10.803 21.959 -15.777 1.00 55.34 C ATOM 264 C ARG A 17 -12.312 22.144 -15.645 1.00 53.55 C ATOM 265 O ARG A 17 -13.090 21.520 -16.368 1.00 24.53 O ATOM 266 CB ARG A 17 -10.178 23.210 -16.398 1.00 62.44 C ATOM 267 CG ARG A 17 -11.064 23.885 -17.433 1.00 20.54 C ATOM 268 CD ARG A 17 -11.411 22.939 -18.571 1.00 61.55 C ATOM 269 NE ARG A 17 -11.394 23.612 -19.867 1.00 53.41 N ATOM 270 CZ ARG A 17 -12.279 24.536 -20.226 1.00 45.42 C ATOM 271 NH1 ARG A 17 -13.244 24.895 -19.391 1.00 71.23 N ATOM 272 NH2 ARG A 17 -12.198 25.104 -21.423 1.00 5.43 N ATOM 0 H ARG A 17 -11.307 20.325 -16.990 1.00 2.43 H new ATOM 0 HA ARG A 17 -10.384 21.807 -14.782 1.00 55.34 H new ATOM 0 HB2 ARG A 17 -9.951 23.924 -15.606 1.00 62.44 H new ATOM 0 HB3 ARG A 17 -9.231 22.939 -16.864 1.00 62.44 H new ATOM 0 HG2 ARG A 17 -11.980 24.235 -16.957 1.00 20.54 H new ATOM 0 HG3 ARG A 17 -10.556 24.764 -17.831 1.00 20.54 H new ATOM 0 HD2 ARG A 17 -10.702 22.111 -18.583 1.00 61.55 H new ATOM 0 HD3 ARG A 17 -12.398 22.511 -18.398 1.00 61.55 H new ATOM 0 HE ARG A 17 -10.663 23.359 -20.532 1.00 53.41 H new ATOM 0 HH11 ARG A 17 -13.309 24.462 -18.470 1.00 71.23 H new ATOM 0 HH12 ARG A 17 -13.922 25.605 -19.670 1.00 71.23 H new ATOM 0 HH21 ARG A 17 -11.456 24.831 -22.068 1.00 5.43 H new ATOM 0 HH22 ARG A 17 -12.878 25.813 -21.698 1.00 5.43 H new ATOM 286 N ILE A 18 -12.719 23.006 -14.719 1.00 23.31 N ATOM 287 CA ILE A 18 -14.134 23.273 -14.493 1.00 43.02 C ATOM 288 C ILE A 18 -14.709 24.155 -15.596 1.00 74.32 C ATOM 289 O ILE A 18 -14.386 25.339 -15.692 1.00 21.41 O ATOM 290 CB ILE A 18 -14.368 23.955 -13.132 1.00 63.40 C ATOM 291 CG1 ILE A 18 -13.724 23.137 -12.010 1.00 60.03 C ATOM 292 CG2 ILE A 18 -15.857 24.132 -12.878 1.00 11.12 C ATOM 293 CD1 ILE A 18 -14.562 21.960 -11.563 1.00 61.44 C ATOM 0 H ILE A 18 -12.089 23.531 -14.113 1.00 23.31 H new ATOM 0 HA ILE A 18 -14.642 22.309 -14.499 1.00 43.02 H new ATOM 0 HB ILE A 18 -13.903 24.941 -13.151 1.00 63.40 H new ATOM 0 HG12 ILE A 18 -12.753 22.774 -12.347 1.00 60.03 H new ATOM 0 HG13 ILE A 18 -13.542 23.788 -11.155 1.00 60.03 H new ATOM 0 HG21 ILE A 18 -16.006 24.615 -11.912 1.00 11.12 H new ATOM 0 HG22 ILE A 18 -16.289 24.751 -13.664 1.00 11.12 H new ATOM 0 HG23 ILE A 18 -16.344 23.157 -12.875 1.00 11.12 H new ATOM 0 HD11 ILE A 18 -14.044 21.426 -10.766 1.00 61.44 H new ATOM 0 HD12 ILE A 18 -15.524 22.317 -11.195 1.00 61.44 H new ATOM 0 HD13 ILE A 18 -14.723 21.287 -12.405 1.00 61.44 H new ATOM 305 N VAL A 19 -15.567 23.570 -16.427 1.00 25.30 N ATOM 306 CA VAL A 19 -16.191 24.302 -17.522 1.00 44.42 C ATOM 307 C VAL A 19 -17.001 25.484 -17.002 1.00 31.05 C ATOM 308 O VAL A 19 -16.791 26.624 -17.415 1.00 52.32 O ATOM 309 CB VAL A 19 -17.110 23.390 -18.355 1.00 54.35 C ATOM 310 CG1 VAL A 19 -17.553 24.097 -19.627 1.00 53.05 C ATOM 311 CG2 VAL A 19 -16.409 22.080 -18.680 1.00 44.33 C ATOM 0 H VAL A 19 -15.845 22.591 -16.362 1.00 25.30 H new ATOM 0 HA VAL A 19 -15.385 24.670 -18.157 1.00 44.42 H new ATOM 0 HB VAL A 19 -17.998 23.163 -17.765 1.00 54.35 H new ATOM 0 HG11 VAL A 19 -18.202 23.437 -20.203 1.00 53.05 H new ATOM 0 HG12 VAL A 19 -18.097 25.005 -19.368 1.00 53.05 H new ATOM 0 HG13 VAL A 19 -16.678 24.356 -20.223 1.00 53.05 H new ATOM 0 HG21 VAL A 19 -17.074 21.448 -19.269 1.00 44.33 H new ATOM 0 HG22 VAL A 19 -15.503 22.284 -19.250 1.00 44.33 H new ATOM 0 HG23 VAL A 19 -16.148 21.568 -17.754 1.00 44.33 H new ATOM 321 N ARG A 20 -17.928 25.203 -16.091 1.00 42.41 N ATOM 322 CA ARG A 20 -18.771 26.243 -15.514 1.00 11.23 C ATOM 323 C ARG A 20 -19.451 25.747 -14.241 1.00 4.44 C ATOM 324 O ARG A 20 -19.147 24.663 -13.744 1.00 31.43 O ATOM 325 CB ARG A 20 -19.826 26.694 -16.525 1.00 73.04 C ATOM 326 CG ARG A 20 -20.718 25.566 -17.019 1.00 43.31 C ATOM 327 CD ARG A 20 -20.335 25.128 -18.424 1.00 21.31 C ATOM 328 NE ARG A 20 -21.503 24.973 -19.286 1.00 72.44 N ATOM 329 CZ ARG A 20 -21.452 25.042 -20.612 1.00 35.00 C ATOM 330 NH1 ARG A 20 -20.297 25.262 -21.224 1.00 11.21 N ATOM 331 NH2 ARG A 20 -22.559 24.890 -21.328 1.00 51.43 N ATOM 0 H ARG A 20 -18.114 24.265 -15.737 1.00 42.41 H new ATOM 0 HA ARG A 20 -18.135 27.091 -15.260 1.00 11.23 H new ATOM 0 HB2 ARG A 20 -20.448 27.464 -16.069 1.00 73.04 H new ATOM 0 HB3 ARG A 20 -19.326 27.151 -17.379 1.00 73.04 H new ATOM 0 HG2 ARG A 20 -20.644 24.717 -16.339 1.00 43.31 H new ATOM 0 HG3 ARG A 20 -21.758 25.892 -17.009 1.00 43.31 H new ATOM 0 HD2 ARG A 20 -19.657 25.862 -18.860 1.00 21.31 H new ATOM 0 HD3 ARG A 20 -19.793 24.183 -18.374 1.00 21.31 H new ATOM 0 HE ARG A 20 -22.407 24.802 -18.846 1.00 72.44 H new ATOM 0 HH11 ARG A 20 -19.444 25.379 -20.677 1.00 11.21 H new ATOM 0 HH12 ARG A 20 -20.261 25.314 -22.242 1.00 11.21 H new ATOM 0 HH21 ARG A 20 -23.449 24.720 -20.860 1.00 51.43 H new ATOM 0 HH22 ARG A 20 -22.519 24.943 -22.346 1.00 51.43 H new ATOM 345 N LYS A 21 -20.371 26.549 -13.717 1.00 14.51 N ATOM 346 CA LYS A 21 -21.095 26.194 -12.502 1.00 73.43 C ATOM 347 C LYS A 21 -22.482 26.830 -12.489 1.00 63.52 C ATOM 348 O LYS A 21 -22.721 27.836 -13.157 1.00 20.11 O ATOM 349 CB LYS A 21 -20.308 26.636 -11.267 1.00 31.44 C ATOM 350 CG LYS A 21 -20.284 28.141 -11.067 1.00 51.22 C ATOM 351 CD LYS A 21 -19.806 28.511 -9.673 1.00 54.51 C ATOM 352 CE LYS A 21 -20.613 29.665 -9.096 1.00 23.44 C ATOM 353 NZ LYS A 21 -20.673 30.822 -10.031 1.00 12.15 N ATOM 0 H LYS A 21 -20.633 27.451 -14.115 1.00 14.51 H new ATOM 0 HA LYS A 21 -21.211 25.110 -12.482 1.00 73.43 H new ATOM 0 HB2 LYS A 21 -20.742 26.168 -10.383 1.00 31.44 H new ATOM 0 HB3 LYS A 21 -19.284 26.273 -11.350 1.00 31.44 H new ATOM 0 HG2 LYS A 21 -19.630 28.597 -11.810 1.00 51.22 H new ATOM 0 HG3 LYS A 21 -21.283 28.546 -11.230 1.00 51.22 H new ATOM 0 HD2 LYS A 21 -19.888 27.644 -9.017 1.00 54.51 H new ATOM 0 HD3 LYS A 21 -18.752 28.785 -9.709 1.00 54.51 H new ATOM 0 HE2 LYS A 21 -21.624 29.325 -8.873 1.00 23.44 H new ATOM 0 HE3 LYS A 21 -20.169 29.983 -8.153 1.00 23.44 H new ATOM 0 HZ1 LYS A 21 -20.903 31.686 -9.500 1.00 12.15 H new ATOM 0 HZ2 LYS A 21 -19.752 30.938 -10.499 1.00 12.15 H new ATOM 0 HZ3 LYS A 21 -21.406 30.651 -10.748 1.00 12.15 H new ATOM 367 N LYS A 22 -23.392 26.237 -11.724 1.00 12.10 N ATOM 368 CA LYS A 22 -24.754 26.747 -11.621 1.00 34.41 C ATOM 369 C LYS A 22 -25.521 26.029 -10.514 1.00 53.54 C ATOM 370 O LYS A 22 -25.320 24.837 -10.280 1.00 14.54 O ATOM 371 CB LYS A 22 -25.486 26.579 -12.955 1.00 20.55 C ATOM 372 CG LYS A 22 -25.896 25.146 -13.247 1.00 30.40 C ATOM 373 CD LYS A 22 -27.401 24.963 -13.140 1.00 42.31 C ATOM 374 CE LYS A 22 -28.035 24.752 -14.506 1.00 51.44 C ATOM 375 NZ LYS A 22 -29.512 24.939 -14.467 1.00 41.41 N ATOM 0 H LYS A 22 -23.211 25.403 -11.166 1.00 12.10 H new ATOM 0 HA LYS A 22 -24.701 27.807 -11.374 1.00 34.41 H new ATOM 0 HB2 LYS A 22 -26.375 27.209 -12.954 1.00 20.55 H new ATOM 0 HB3 LYS A 22 -24.843 26.936 -13.760 1.00 20.55 H new ATOM 0 HG2 LYS A 22 -25.565 24.869 -14.248 1.00 30.40 H new ATOM 0 HG3 LYS A 22 -25.396 24.474 -12.549 1.00 30.40 H new ATOM 0 HD2 LYS A 22 -27.620 24.108 -12.500 1.00 42.31 H new ATOM 0 HD3 LYS A 22 -27.842 25.839 -12.664 1.00 42.31 H new ATOM 0 HE2 LYS A 22 -27.599 25.451 -15.220 1.00 51.44 H new ATOM 0 HE3 LYS A 22 -27.805 23.748 -14.862 1.00 51.44 H new ATOM 0 HZ1 LYS A 22 -29.906 24.787 -15.417 1.00 41.41 H new ATOM 0 HZ2 LYS A 22 -29.931 24.256 -13.804 1.00 41.41 H new ATOM 0 HZ3 LYS A 22 -29.731 25.906 -14.152 1.00 41.41 H new ATOM 389 N ILE A 23 -26.400 26.762 -9.839 1.00 54.34 N ATOM 390 CA ILE A 23 -27.199 26.195 -8.760 1.00 64.40 C ATOM 391 C ILE A 23 -28.672 26.120 -9.147 1.00 22.44 C ATOM 392 O ILE A 23 -29.162 26.934 -9.929 1.00 62.12 O ATOM 393 CB ILE A 23 -27.060 27.017 -7.465 1.00 75.12 C ATOM 394 CG1 ILE A 23 -27.994 28.228 -7.502 1.00 53.35 C ATOM 395 CG2 ILE A 23 -25.618 27.459 -7.270 1.00 1.11 C ATOM 396 CD1 ILE A 23 -29.332 27.981 -6.841 1.00 72.44 C ATOM 0 H ILE A 23 -26.577 27.750 -10.020 1.00 54.34 H new ATOM 0 HA ILE A 23 -26.821 25.188 -8.583 1.00 64.40 H new ATOM 0 HB ILE A 23 -27.343 26.388 -6.621 1.00 75.12 H new ATOM 0 HG12 ILE A 23 -27.505 29.069 -7.010 1.00 53.35 H new ATOM 0 HG13 ILE A 23 -28.159 28.518 -8.540 1.00 53.35 H new ATOM 0 HG21 ILE A 23 -25.536 28.039 -6.351 1.00 1.11 H new ATOM 0 HG22 ILE A 23 -24.974 26.582 -7.204 1.00 1.11 H new ATOM 0 HG23 ILE A 23 -25.308 28.074 -8.115 1.00 1.11 H new ATOM 0 HD11 ILE A 23 -29.941 28.882 -6.905 1.00 72.44 H new ATOM 0 HD12 ILE A 23 -29.842 27.161 -7.347 1.00 72.44 H new ATOM 0 HD13 ILE A 23 -29.178 27.721 -5.794 1.00 72.44 H new ATOM 408 N VAL A 24 -29.375 25.137 -8.591 1.00 45.41 N ATOM 409 CA VAL A 24 -30.793 24.957 -8.875 1.00 52.20 C ATOM 410 C VAL A 24 -31.573 24.642 -7.603 1.00 45.41 C ATOM 411 O VAL A 24 -31.260 23.688 -6.891 1.00 21.14 O ATOM 412 CB VAL A 24 -31.022 23.828 -9.897 1.00 31.31 C ATOM 413 CG1 VAL A 24 -32.136 24.200 -10.863 1.00 72.54 C ATOM 414 CG2 VAL A 24 -29.735 23.520 -10.647 1.00 70.31 C ATOM 0 H VAL A 24 -28.985 24.454 -7.942 1.00 45.41 H new ATOM 0 HA VAL A 24 -31.153 25.896 -9.295 1.00 52.20 H new ATOM 0 HB VAL A 24 -31.326 22.930 -9.359 1.00 31.31 H new ATOM 0 HG11 VAL A 24 -32.283 23.390 -11.578 1.00 72.54 H new ATOM 0 HG12 VAL A 24 -33.059 24.366 -10.307 1.00 72.54 H new ATOM 0 HG13 VAL A 24 -31.865 25.111 -11.397 1.00 72.54 H new ATOM 0 HG21 VAL A 24 -29.915 22.720 -11.365 1.00 70.31 H new ATOM 0 HG22 VAL A 24 -29.399 24.413 -11.175 1.00 70.31 H new ATOM 0 HG23 VAL A 24 -28.968 23.207 -9.939 1.00 70.31 H new ATOM 424 N HIS A 25 -32.590 25.451 -7.323 1.00 42.14 N ATOM 425 CA HIS A 25 -33.416 25.258 -6.137 1.00 1.41 C ATOM 426 C HIS A 25 -32.561 25.263 -4.873 1.00 60.52 C ATOM 427 O HIS A 25 -32.943 24.693 -3.852 1.00 1.55 O ATOM 428 CB HIS A 25 -34.192 23.945 -6.238 1.00 25.45 C ATOM 429 CG HIS A 25 -35.562 24.010 -5.636 1.00 44.31 C ATOM 430 ND1 HIS A 25 -36.679 24.388 -6.350 1.00 14.44 N ATOM 431 CD2 HIS A 25 -35.991 23.742 -4.381 1.00 33.21 C ATOM 432 CE1 HIS A 25 -37.737 24.351 -5.559 1.00 11.21 C ATOM 433 NE2 HIS A 25 -37.347 23.961 -4.359 1.00 4.42 N ATOM 0 H HIS A 25 -32.862 26.246 -7.901 1.00 42.14 H new ATOM 0 HA HIS A 25 -34.124 26.085 -6.079 1.00 1.41 H new ATOM 0 HB2 HIS A 25 -34.278 23.664 -7.288 1.00 25.45 H new ATOM 0 HB3 HIS A 25 -33.624 23.158 -5.743 1.00 25.45 H new ATOM 0 HD2 HIS A 25 -35.381 23.417 -3.551 1.00 33.21 H new ATOM 0 HE1 HIS A 25 -38.749 24.598 -5.845 1.00 11.21 H new ATOM 0 HE2 HIS A 25 -37.954 23.842 -3.548 1.00 4.42 H new ATOM 441 N GLY A 26 -31.401 25.908 -4.951 1.00 11.10 N ATOM 442 CA GLY A 26 -30.510 25.973 -3.807 1.00 52.13 C ATOM 443 C GLY A 26 -29.454 24.886 -3.833 1.00 3.42 C ATOM 444 O GLY A 26 -28.710 24.712 -2.869 1.00 1.14 O ATOM 0 H GLY A 26 -31.062 26.387 -5.786 1.00 11.10 H new ATOM 0 HA2 GLY A 26 -30.023 26.948 -3.784 1.00 52.13 H new ATOM 0 HA3 GLY A 26 -31.093 25.887 -2.890 1.00 52.13 H new ATOM 448 N ASN A 27 -29.389 24.152 -4.939 1.00 5.50 N ATOM 449 CA ASN A 27 -28.417 23.075 -5.085 1.00 45.12 C ATOM 450 C ASN A 27 -27.332 23.454 -6.089 1.00 25.33 C ATOM 451 O ASN A 27 -27.572 23.491 -7.296 1.00 2.20 O ATOM 452 CB ASN A 27 -29.114 21.788 -5.532 1.00 44.50 C ATOM 453 CG ASN A 27 -30.110 21.284 -4.506 1.00 3.13 C ATOM 454 OD1 ASN A 27 -29.748 20.986 -3.367 1.00 63.25 O ATOM 455 ND2 ASN A 27 -31.372 21.186 -4.905 1.00 53.42 N ATOM 0 H ASN A 27 -29.998 24.283 -5.747 1.00 5.50 H new ATOM 0 HA ASN A 27 -27.948 22.908 -4.115 1.00 45.12 H new ATOM 0 HB2 ASN A 27 -29.628 21.966 -6.477 1.00 44.50 H new ATOM 0 HB3 ASN A 27 -28.365 21.018 -5.716 1.00 44.50 H new ATOM 0 HD21 ASN A 27 -32.087 20.853 -4.258 1.00 53.42 H new ATOM 0 HD22 ASN A 27 -31.627 21.444 -5.858 1.00 53.42 H new ATOM 462 N THR A 28 -26.135 23.734 -5.581 1.00 71.40 N ATOM 463 CA THR A 28 -25.013 24.110 -6.432 1.00 21.25 C ATOM 464 C THR A 28 -24.521 22.922 -7.250 1.00 25.54 C ATOM 465 O THR A 28 -24.530 21.784 -6.778 1.00 51.51 O ATOM 466 CB THR A 28 -23.841 24.668 -5.602 1.00 34.04 C ATOM 467 OG1 THR A 28 -24.342 25.422 -4.492 1.00 75.30 O ATOM 468 CG2 THR A 28 -22.944 25.550 -6.457 1.00 14.12 C ATOM 0 H THR A 28 -25.918 23.707 -4.585 1.00 71.40 H new ATOM 0 HA THR A 28 -25.374 24.887 -7.106 1.00 21.25 H new ATOM 0 HB THR A 28 -23.253 23.827 -5.234 1.00 34.04 H new ATOM 0 HG1 THR A 28 -23.593 25.721 -3.935 1.00 75.30 H new ATOM 0 HG21 THR A 28 -22.124 25.932 -5.849 1.00 14.12 H new ATOM 0 HG22 THR A 28 -22.541 24.966 -7.284 1.00 14.12 H new ATOM 0 HG23 THR A 28 -23.523 26.385 -6.851 1.00 14.12 H new ATOM 476 N SER A 29 -24.090 23.192 -8.478 1.00 2.14 N ATOM 477 CA SER A 29 -23.596 22.144 -9.363 1.00 30.22 C ATOM 478 C SER A 29 -22.441 22.655 -10.218 1.00 64.32 C ATOM 479 O SER A 29 -22.558 23.677 -10.894 1.00 14.44 O ATOM 480 CB SER A 29 -24.724 21.633 -10.262 1.00 23.25 C ATOM 481 OG SER A 29 -25.816 21.162 -9.491 1.00 51.03 O ATOM 0 H SER A 29 -24.073 24.128 -8.883 1.00 2.14 H new ATOM 0 HA SER A 29 -23.232 21.323 -8.746 1.00 30.22 H new ATOM 0 HB2 SER A 29 -25.059 22.434 -10.922 1.00 23.25 H new ATOM 0 HB3 SER A 29 -24.351 20.831 -10.898 1.00 23.25 H new ATOM 0 HG SER A 29 -26.524 20.842 -10.088 1.00 51.03 H new ATOM 487 N TYR A 30 -21.324 21.935 -10.184 1.00 14.43 N ATOM 488 CA TYR A 30 -20.146 22.316 -10.953 1.00 62.02 C ATOM 489 C TYR A 30 -20.014 21.458 -12.208 1.00 23.24 C ATOM 490 O TYR A 30 -19.970 20.229 -12.132 1.00 53.11 O ATOM 491 CB TYR A 30 -18.886 22.183 -10.096 1.00 32.14 C ATOM 492 CG TYR A 30 -18.632 23.377 -9.203 1.00 74.32 C ATOM 493 CD1 TYR A 30 -19.635 23.883 -8.385 1.00 71.21 C ATOM 494 CD2 TYR A 30 -17.391 23.999 -9.179 1.00 4.34 C ATOM 495 CE1 TYR A 30 -19.408 24.974 -7.568 1.00 71.35 C ATOM 496 CE2 TYR A 30 -17.154 25.090 -8.364 1.00 72.32 C ATOM 497 CZ TYR A 30 -18.166 25.573 -7.561 1.00 40.32 C ATOM 498 OH TYR A 30 -17.935 26.660 -6.750 1.00 1.35 O ATOM 0 H TYR A 30 -21.211 21.085 -9.632 1.00 14.43 H new ATOM 0 HA TYR A 30 -20.263 23.356 -11.256 1.00 62.02 H new ATOM 0 HB2 TYR A 30 -18.970 21.289 -9.478 1.00 32.14 H new ATOM 0 HB3 TYR A 30 -18.026 22.039 -10.750 1.00 32.14 H new ATOM 0 HD1 TYR A 30 -20.609 23.416 -8.388 1.00 71.21 H new ATOM 0 HD2 TYR A 30 -16.597 23.624 -9.808 1.00 4.34 H new ATOM 0 HE1 TYR A 30 -20.199 25.355 -6.939 1.00 71.35 H new ATOM 0 HE2 TYR A 30 -16.182 25.561 -8.356 1.00 72.32 H new ATOM 0 HH TYR A 30 -17.010 26.962 -6.863 1.00 1.35 H new ATOM 508 N LEU A 31 -19.950 22.114 -13.361 1.00 25.31 N ATOM 509 CA LEU A 31 -19.821 21.413 -14.634 1.00 33.42 C ATOM 510 C LEU A 31 -18.357 21.285 -15.040 1.00 23.41 C ATOM 511 O LEU A 31 -17.692 22.280 -15.327 1.00 42.12 O ATOM 512 CB LEU A 31 -20.602 22.148 -15.724 1.00 74.34 C ATOM 513 CG LEU A 31 -20.791 21.392 -17.040 1.00 73.21 C ATOM 514 CD1 LEU A 31 -21.454 20.046 -16.792 1.00 33.10 C ATOM 515 CD2 LEU A 31 -21.612 22.220 -18.018 1.00 44.31 C ATOM 0 H LEU A 31 -19.985 23.130 -13.441 1.00 25.31 H new ATOM 0 HA LEU A 31 -20.233 20.411 -14.512 1.00 33.42 H new ATOM 0 HB2 LEU A 31 -21.586 22.402 -15.330 1.00 74.34 H new ATOM 0 HB3 LEU A 31 -20.092 23.087 -15.938 1.00 74.34 H new ATOM 0 HG LEU A 31 -19.809 21.215 -17.479 1.00 73.21 H new ATOM 0 HD11 LEU A 31 -21.580 19.523 -17.740 1.00 33.10 H new ATOM 0 HD12 LEU A 31 -20.828 19.449 -16.128 1.00 33.10 H new ATOM 0 HD13 LEU A 31 -22.429 20.200 -16.330 1.00 33.10 H new ATOM 0 HD21 LEU A 31 -21.736 21.666 -18.949 1.00 44.31 H new ATOM 0 HD22 LEU A 31 -22.591 22.428 -17.586 1.00 44.31 H new ATOM 0 HD23 LEU A 31 -21.098 23.159 -18.221 1.00 44.31 H new ATOM 527 N VAL A 32 -17.860 20.052 -15.064 1.00 21.25 N ATOM 528 CA VAL A 32 -16.475 19.793 -15.438 1.00 22.21 C ATOM 529 C VAL A 32 -16.394 18.801 -16.593 1.00 30.44 C ATOM 530 O VAL A 32 -17.185 17.861 -16.675 1.00 53.03 O ATOM 531 CB VAL A 32 -15.665 19.246 -14.248 1.00 23.43 C ATOM 532 CG1 VAL A 32 -16.063 17.809 -13.945 1.00 54.15 C ATOM 533 CG2 VAL A 32 -14.173 19.346 -14.528 1.00 61.31 C ATOM 0 H VAL A 32 -18.396 19.217 -14.829 1.00 21.25 H new ATOM 0 HA VAL A 32 -16.048 20.746 -15.751 1.00 22.21 H new ATOM 0 HB VAL A 32 -15.889 19.852 -13.370 1.00 23.43 H new ATOM 0 HG11 VAL A 32 -15.480 17.440 -13.101 1.00 54.15 H new ATOM 0 HG12 VAL A 32 -17.124 17.770 -13.698 1.00 54.15 H new ATOM 0 HG13 VAL A 32 -15.871 17.186 -14.819 1.00 54.15 H new ATOM 0 HG21 VAL A 32 -13.616 18.955 -13.677 1.00 61.31 H new ATOM 0 HG22 VAL A 32 -13.930 18.765 -15.418 1.00 61.31 H new ATOM 0 HG23 VAL A 32 -13.902 20.389 -14.690 1.00 61.31 H new ATOM 543 N LYS A 33 -15.432 19.015 -17.483 1.00 43.13 N ATOM 544 CA LYS A 33 -15.244 18.139 -18.634 1.00 15.30 C ATOM 545 C LYS A 33 -14.231 17.043 -18.324 1.00 24.32 C ATOM 546 O LYS A 33 -13.837 16.857 -17.172 1.00 63.55 O ATOM 547 CB LYS A 33 -14.781 18.949 -19.847 1.00 2.00 C ATOM 548 CG LYS A 33 -13.535 19.778 -19.585 1.00 70.51 C ATOM 549 CD LYS A 33 -13.094 20.530 -20.829 1.00 52.23 C ATOM 550 CE LYS A 33 -13.921 21.789 -21.042 1.00 34.23 C ATOM 551 NZ LYS A 33 -13.500 22.530 -22.263 1.00 31.13 N ATOM 0 H LYS A 33 -14.769 19.788 -17.430 1.00 43.13 H new ATOM 0 HA LYS A 33 -16.201 17.670 -18.862 1.00 15.30 H new ATOM 0 HB2 LYS A 33 -14.587 18.268 -20.675 1.00 2.00 H new ATOM 0 HB3 LYS A 33 -15.588 19.611 -20.161 1.00 2.00 H new ATOM 0 HG2 LYS A 33 -13.731 20.487 -18.781 1.00 70.51 H new ATOM 0 HG3 LYS A 33 -12.728 19.127 -19.247 1.00 70.51 H new ATOM 0 HD2 LYS A 33 -12.041 20.796 -20.740 1.00 52.23 H new ATOM 0 HD3 LYS A 33 -13.187 19.881 -21.700 1.00 52.23 H new ATOM 0 HE2 LYS A 33 -14.974 21.522 -21.125 1.00 34.23 H new ATOM 0 HE3 LYS A 33 -13.824 22.438 -20.172 1.00 34.23 H new ATOM 0 HZ1 LYS A 33 -14.004 23.439 -22.309 1.00 31.13 H new ATOM 0 HZ2 LYS A 33 -12.475 22.704 -22.227 1.00 31.13 H new ATOM 0 HZ3 LYS A 33 -13.726 21.966 -23.107 1.00 31.13 H new ATOM 565 N TRP A 34 -13.812 16.321 -19.357 1.00 42.52 N ATOM 566 CA TRP A 34 -12.842 15.244 -19.194 1.00 52.13 C ATOM 567 C TRP A 34 -11.700 15.384 -20.194 1.00 42.03 C ATOM 568 O TRP A 34 -11.838 15.027 -21.364 1.00 53.05 O ATOM 569 CB TRP A 34 -13.524 13.886 -19.367 1.00 12.00 C ATOM 570 CG TRP A 34 -14.812 13.768 -18.610 1.00 32.43 C ATOM 571 CD1 TRP A 34 -15.057 14.197 -17.337 1.00 1.14 C ATOM 572 CD2 TRP A 34 -16.031 13.179 -19.078 1.00 5.02 C ATOM 573 NE1 TRP A 34 -16.354 13.911 -16.985 1.00 51.11 N ATOM 574 CE2 TRP A 34 -16.973 13.287 -18.036 1.00 44.42 C ATOM 575 CE3 TRP A 34 -16.418 12.573 -20.276 1.00 0.11 C ATOM 576 CZ2 TRP A 34 -18.275 12.811 -18.158 1.00 71.25 C ATOM 577 CZ3 TRP A 34 -17.711 12.100 -20.396 1.00 1.44 C ATOM 578 CH2 TRP A 34 -18.627 12.222 -19.342 1.00 72.05 C ATOM 0 H TRP A 34 -14.129 16.462 -20.316 1.00 42.52 H new ATOM 0 HA TRP A 34 -12.429 15.310 -18.188 1.00 52.13 H new ATOM 0 HB2 TRP A 34 -13.717 13.716 -20.426 1.00 12.00 H new ATOM 0 HB3 TRP A 34 -12.844 13.101 -19.037 1.00 12.00 H new ATOM 0 HD1 TRP A 34 -14.337 14.689 -16.700 1.00 1.14 H new ATOM 0 HE1 TRP A 34 -16.786 14.128 -16.087 1.00 51.11 H new ATOM 0 HE3 TRP A 34 -15.719 12.476 -21.094 1.00 0.11 H new ATOM 0 HZ2 TRP A 34 -18.982 12.903 -17.347 1.00 71.25 H new ATOM 0 HZ3 TRP A 34 -18.021 11.629 -21.317 1.00 1.44 H new ATOM 0 HH2 TRP A 34 -19.631 11.844 -19.467 1.00 72.05 H new ATOM 754 N GLU A 45 -21.317 18.033 -11.207 1.00 53.14 N ATOM 755 CA GLU A 45 -20.956 17.516 -9.893 1.00 22.21 C ATOM 756 C GLU A 45 -21.194 18.565 -8.811 1.00 2.21 C ATOM 757 O GLU A 45 -20.653 19.670 -8.871 1.00 52.10 O ATOM 758 CB GLU A 45 -19.490 17.076 -9.879 1.00 13.12 C ATOM 759 CG GLU A 45 -19.227 15.810 -10.676 1.00 31.51 C ATOM 760 CD GLU A 45 -19.020 14.596 -9.791 1.00 23.20 C ATOM 761 OE1 GLU A 45 -20.028 14.008 -9.345 1.00 43.31 O ATOM 762 OE2 GLU A 45 -17.851 14.234 -9.544 1.00 64.41 O ATOM 0 HA GLU A 45 -21.589 16.654 -9.684 1.00 22.21 H new ATOM 0 HB2 GLU A 45 -18.874 17.881 -10.279 1.00 13.12 H new ATOM 0 HB3 GLU A 45 -19.177 16.917 -8.847 1.00 13.12 H new ATOM 0 HG2 GLU A 45 -20.066 15.627 -11.347 1.00 31.51 H new ATOM 0 HG3 GLU A 45 -18.345 15.955 -11.300 1.00 31.51 H new ATOM 769 N THR A 46 -22.008 18.212 -7.821 1.00 22.11 N ATOM 770 CA THR A 46 -22.320 19.122 -6.726 1.00 43.12 C ATOM 771 C THR A 46 -21.078 19.879 -6.269 1.00 64.52 C ATOM 772 O THR A 46 -19.964 19.361 -6.341 1.00 23.20 O ATOM 773 CB THR A 46 -22.920 18.370 -5.524 1.00 21.44 C ATOM 774 OG1 THR A 46 -22.541 16.989 -5.571 1.00 11.54 O ATOM 775 CG2 THR A 46 -24.437 18.484 -5.516 1.00 2.31 C ATOM 0 H THR A 46 -22.463 17.302 -7.755 1.00 22.11 H new ATOM 0 HA THR A 46 -23.056 19.831 -7.105 1.00 43.12 H new ATOM 0 HB THR A 46 -22.533 18.822 -4.611 1.00 21.44 H new ATOM 0 HG1 THR A 46 -22.829 16.542 -4.748 1.00 11.54 H new ATOM 0 HG21 THR A 46 -24.838 17.945 -4.658 1.00 2.31 H new ATOM 0 HG22 THR A 46 -24.723 19.534 -5.451 1.00 2.31 H new ATOM 0 HG23 THR A 46 -24.839 18.055 -6.434 1.00 2.31 H new ATOM 783 N GLU A 47 -21.277 21.106 -5.799 1.00 33.21 N ATOM 784 CA GLU A 47 -20.172 21.933 -5.330 1.00 64.23 C ATOM 785 C GLU A 47 -19.430 21.251 -4.184 1.00 13.43 C ATOM 786 O GLU A 47 -18.271 21.561 -3.909 1.00 0.33 O ATOM 787 CB GLU A 47 -20.685 23.301 -4.878 1.00 51.51 C ATOM 788 CG GLU A 47 -19.708 24.055 -3.991 1.00 55.54 C ATOM 789 CD GLU A 47 -20.207 25.438 -3.618 1.00 40.14 C ATOM 790 OE1 GLU A 47 -21.434 25.661 -3.672 1.00 53.53 O ATOM 791 OE2 GLU A 47 -19.369 26.297 -3.272 1.00 63.22 O ATOM 0 H GLU A 47 -22.193 21.549 -5.733 1.00 33.21 H new ATOM 0 HA GLU A 47 -19.477 22.070 -6.159 1.00 64.23 H new ATOM 0 HB2 GLU A 47 -20.905 23.906 -5.758 1.00 51.51 H new ATOM 0 HB3 GLU A 47 -21.623 23.168 -4.340 1.00 51.51 H new ATOM 0 HG2 GLU A 47 -19.529 23.480 -3.082 1.00 55.54 H new ATOM 0 HG3 GLU A 47 -18.751 24.144 -4.505 1.00 55.54 H new ATOM 798 N ASP A 48 -20.108 20.323 -3.518 1.00 60.43 N ATOM 799 CA ASP A 48 -19.515 19.596 -2.402 1.00 2.25 C ATOM 800 C ASP A 48 -18.965 18.249 -2.860 1.00 74.11 C ATOM 801 O ASP A 48 -18.336 17.528 -2.086 1.00 34.35 O ATOM 802 CB ASP A 48 -20.548 19.389 -1.293 1.00 75.05 C ATOM 803 CG ASP A 48 -19.910 19.240 0.073 1.00 21.44 C ATOM 804 OD1 ASP A 48 -19.439 18.127 0.389 1.00 2.33 O ATOM 805 OD2 ASP A 48 -19.882 20.235 0.828 1.00 71.14 O ATOM 0 H ASP A 48 -21.069 20.056 -3.732 1.00 60.43 H new ATOM 0 HA ASP A 48 -18.689 20.191 -2.012 1.00 2.25 H new ATOM 0 HB2 ASP A 48 -21.236 20.234 -1.279 1.00 75.05 H new ATOM 0 HB3 ASP A 48 -21.140 18.500 -1.513 1.00 75.05 H new ATOM 810 N ASP A 49 -19.208 17.916 -4.123 1.00 32.21 N ATOM 811 CA ASP A 49 -18.738 16.655 -4.685 1.00 61.00 C ATOM 812 C ASP A 49 -17.731 16.901 -5.804 1.00 43.11 C ATOM 813 O ASP A 49 -17.118 15.965 -6.318 1.00 73.50 O ATOM 814 CB ASP A 49 -19.917 15.837 -5.214 1.00 23.51 C ATOM 815 CG ASP A 49 -19.600 14.357 -5.304 1.00 61.33 C ATOM 816 OD1 ASP A 49 -19.501 13.705 -4.243 1.00 71.25 O ATOM 817 OD2 ASP A 49 -19.452 13.850 -6.436 1.00 4.31 O ATOM 0 H ASP A 49 -19.728 18.502 -4.777 1.00 32.21 H new ATOM 0 HA ASP A 49 -18.243 16.094 -3.892 1.00 61.00 H new ATOM 0 HB2 ASP A 49 -20.778 15.982 -4.562 1.00 23.51 H new ATOM 0 HB3 ASP A 49 -20.198 16.206 -6.200 1.00 23.51 H new ATOM 822 N ILE A 50 -17.566 18.166 -6.177 1.00 25.41 N ATOM 823 CA ILE A 50 -16.633 18.534 -7.235 1.00 1.02 C ATOM 824 C ILE A 50 -15.297 18.988 -6.656 1.00 51.24 C ATOM 825 O ILE A 50 -14.240 18.725 -7.229 1.00 65.10 O ATOM 826 CB ILE A 50 -17.203 19.656 -8.122 1.00 72.15 C ATOM 827 CG1 ILE A 50 -16.248 19.956 -9.279 1.00 42.23 C ATOM 828 CG2 ILE A 50 -17.454 20.909 -7.297 1.00 32.23 C ATOM 829 CD1 ILE A 50 -16.782 19.534 -10.630 1.00 35.22 C ATOM 0 H ILE A 50 -18.066 18.953 -5.763 1.00 25.41 H new ATOM 0 HA ILE A 50 -16.479 17.643 -7.844 1.00 1.02 H new ATOM 0 HB ILE A 50 -18.154 19.322 -8.537 1.00 72.15 H new ATOM 0 HG12 ILE A 50 -16.039 21.026 -9.298 1.00 42.23 H new ATOM 0 HG13 ILE A 50 -15.300 19.449 -9.098 1.00 42.23 H new ATOM 0 HG21 ILE A 50 -17.857 21.693 -7.939 1.00 32.23 H new ATOM 0 HG22 ILE A 50 -18.169 20.686 -6.505 1.00 32.23 H new ATOM 0 HG23 ILE A 50 -16.517 21.248 -6.855 1.00 32.23 H new ATOM 0 HD11 ILE A 50 -16.052 19.778 -11.402 1.00 35.22 H new ATOM 0 HD12 ILE A 50 -16.965 18.459 -10.630 1.00 35.22 H new ATOM 0 HD13 ILE A 50 -17.715 20.061 -10.833 1.00 35.22 H new ATOM 841 N ARG A 51 -15.353 19.670 -5.517 1.00 40.42 N ATOM 842 CA ARG A 51 -14.147 20.161 -4.860 1.00 73.34 C ATOM 843 C ARG A 51 -13.440 19.035 -4.111 1.00 52.13 C ATOM 844 O ARG A 51 -12.259 19.142 -3.778 1.00 35.23 O ATOM 845 CB ARG A 51 -14.493 21.293 -3.892 1.00 52.51 C ATOM 846 CG ARG A 51 -14.699 20.829 -2.460 1.00 21.23 C ATOM 847 CD ARG A 51 -15.990 20.039 -2.310 1.00 10.50 C ATOM 848 NE ARG A 51 -16.078 19.375 -1.013 1.00 20.15 N ATOM 849 CZ ARG A 51 -16.267 20.021 0.133 1.00 64.22 C ATOM 850 NH1 ARG A 51 -16.387 21.341 0.141 1.00 41.20 N ATOM 851 NH2 ARG A 51 -16.336 19.346 1.273 1.00 22.30 N ATOM 0 H ARG A 51 -16.220 19.895 -5.030 1.00 40.42 H new ATOM 0 HA ARG A 51 -13.474 20.542 -5.628 1.00 73.34 H new ATOM 0 HB2 ARG A 51 -13.694 22.034 -3.913 1.00 52.51 H new ATOM 0 HB3 ARG A 51 -15.399 21.791 -4.237 1.00 52.51 H new ATOM 0 HG2 ARG A 51 -13.855 20.211 -2.152 1.00 21.23 H new ATOM 0 HG3 ARG A 51 -14.721 21.693 -1.796 1.00 21.23 H new ATOM 0 HD2 ARG A 51 -16.841 20.709 -2.433 1.00 10.50 H new ATOM 0 HD3 ARG A 51 -16.053 19.294 -3.103 1.00 10.50 H new ATOM 0 HE ARG A 51 -15.990 18.359 -0.985 1.00 20.15 H new ATOM 0 HH11 ARG A 51 -16.334 21.863 -0.734 1.00 41.20 H new ATOM 0 HH12 ARG A 51 -16.532 21.835 1.022 1.00 41.20 H new ATOM 0 HH21 ARG A 51 -16.244 18.330 1.271 1.00 22.30 H new ATOM 0 HH22 ARG A 51 -16.481 19.843 2.152 1.00 22.30 H new ATOM 865 N THR A 52 -14.170 17.955 -3.849 1.00 14.50 N ATOM 866 CA THR A 52 -13.615 16.811 -3.138 1.00 65.02 C ATOM 867 C THR A 52 -12.971 15.823 -4.105 1.00 5.54 C ATOM 868 O THR A 52 -12.027 15.117 -3.750 1.00 23.03 O ATOM 869 CB THR A 52 -14.695 16.080 -2.319 1.00 23.21 C ATOM 870 OG1 THR A 52 -14.092 15.062 -1.511 1.00 51.52 O ATOM 871 CG2 THR A 52 -15.738 15.456 -3.234 1.00 12.44 C ATOM 0 H THR A 52 -15.148 17.849 -4.119 1.00 14.50 H new ATOM 0 HA THR A 52 -12.856 17.199 -2.459 1.00 65.02 H new ATOM 0 HB THR A 52 -15.188 16.809 -1.676 1.00 23.21 H new ATOM 0 HG1 THR A 52 -14.785 14.603 -0.992 1.00 51.52 H new ATOM 0 HG21 THR A 52 -16.490 14.945 -2.633 1.00 12.44 H new ATOM 0 HG22 THR A 52 -16.215 16.236 -3.827 1.00 12.44 H new ATOM 0 HG23 THR A 52 -15.256 14.739 -3.899 1.00 12.44 H new ATOM 879 N LYS A 53 -13.486 15.779 -5.329 1.00 3.15 N ATOM 880 CA LYS A 53 -12.960 14.879 -6.348 1.00 40.43 C ATOM 881 C LYS A 53 -12.068 15.632 -7.330 1.00 41.03 C ATOM 882 O LYS A 53 -11.093 15.083 -7.844 1.00 5.42 O ATOM 883 CB LYS A 53 -14.108 14.202 -7.101 1.00 44.41 C ATOM 884 CG LYS A 53 -15.051 13.424 -6.200 1.00 43.21 C ATOM 885 CD LYS A 53 -16.402 13.209 -6.860 1.00 53.33 C ATOM 886 CE LYS A 53 -16.485 11.846 -7.529 1.00 35.52 C ATOM 887 NZ LYS A 53 -16.142 11.915 -8.976 1.00 50.31 N ATOM 0 H LYS A 53 -14.267 16.356 -5.639 1.00 3.15 H new ATOM 0 HA LYS A 53 -12.360 14.117 -5.850 1.00 40.43 H new ATOM 0 HB2 LYS A 53 -14.676 14.961 -7.639 1.00 44.41 H new ATOM 0 HB3 LYS A 53 -13.693 13.526 -7.848 1.00 44.41 H new ATOM 0 HG2 LYS A 53 -14.607 12.459 -5.954 1.00 43.21 H new ATOM 0 HG3 LYS A 53 -15.185 13.962 -5.261 1.00 43.21 H new ATOM 0 HD2 LYS A 53 -17.191 13.298 -6.113 1.00 53.33 H new ATOM 0 HD3 LYS A 53 -16.575 13.990 -7.600 1.00 53.33 H new ATOM 0 HE2 LYS A 53 -15.808 11.154 -7.028 1.00 35.52 H new ATOM 0 HE3 LYS A 53 -17.492 11.446 -7.414 1.00 35.52 H new ATOM 0 HZ1 LYS A 53 -16.403 11.021 -9.438 1.00 50.31 H new ATOM 0 HZ2 LYS A 53 -16.663 12.699 -9.419 1.00 50.31 H new ATOM 0 HZ3 LYS A 53 -15.120 12.074 -9.083 1.00 50.31 H new ATOM 901 N TYR A 54 -12.407 16.891 -7.586 1.00 33.52 N ATOM 902 CA TYR A 54 -11.637 17.718 -8.507 1.00 34.10 C ATOM 903 C TYR A 54 -11.266 19.050 -7.863 1.00 14.13 C ATOM 904 O TYR A 54 -11.187 20.077 -8.535 1.00 14.40 O ATOM 905 CB TYR A 54 -12.432 17.963 -9.791 1.00 2.41 C ATOM 906 CG TYR A 54 -13.159 16.738 -10.296 1.00 55.12 C ATOM 907 CD1 TYR A 54 -12.467 15.576 -10.613 1.00 44.11 C ATOM 908 CD2 TYR A 54 -14.539 16.743 -10.458 1.00 34.51 C ATOM 909 CE1 TYR A 54 -13.127 14.454 -11.076 1.00 0.31 C ATOM 910 CE2 TYR A 54 -15.208 15.625 -10.919 1.00 12.15 C ATOM 911 CZ TYR A 54 -14.498 14.484 -11.226 1.00 63.44 C ATOM 912 OH TYR A 54 -15.160 13.369 -11.687 1.00 31.11 O ATOM 0 H TYR A 54 -13.210 17.361 -7.168 1.00 33.52 H new ATOM 0 HA TYR A 54 -10.718 17.186 -8.752 1.00 34.10 H new ATOM 0 HB2 TYR A 54 -13.157 18.758 -9.614 1.00 2.41 H new ATOM 0 HB3 TYR A 54 -11.753 18.318 -10.567 1.00 2.41 H new ATOM 0 HD1 TYR A 54 -11.394 15.549 -10.495 1.00 44.11 H new ATOM 0 HD2 TYR A 54 -15.098 17.636 -10.220 1.00 34.51 H new ATOM 0 HE1 TYR A 54 -12.573 13.559 -11.319 1.00 0.31 H new ATOM 0 HE2 TYR A 54 -16.281 15.645 -11.038 1.00 12.15 H new ATOM 0 HH TYR A 54 -16.121 13.555 -11.734 1.00 31.11 H new ATOM 922 N GLY A 55 -11.039 19.024 -6.553 1.00 22.32 N ATOM 923 CA GLY A 55 -10.678 20.234 -5.838 1.00 11.00 C ATOM 924 C GLY A 55 -9.519 20.966 -6.485 1.00 24.55 C ATOM 925 O GLY A 55 -9.339 22.165 -6.275 1.00 44.34 O ATOM 0 H GLY A 55 -11.099 18.186 -5.974 1.00 22.32 H new ATOM 0 HA2 GLY A 55 -11.542 20.897 -5.792 1.00 11.00 H new ATOM 0 HA3 GLY A 55 -10.416 19.981 -4.811 1.00 11.00 H new ATOM 929 N ASP A 56 -8.729 20.242 -7.271 1.00 32.14 N ATOM 930 CA ASP A 56 -7.580 20.829 -7.949 1.00 40.35 C ATOM 931 C ASP A 56 -8.015 21.965 -8.871 1.00 30.23 C ATOM 932 O ASP A 56 -7.510 23.084 -8.775 1.00 42.14 O ATOM 933 CB ASP A 56 -6.834 19.762 -8.752 1.00 74.00 C ATOM 934 CG ASP A 56 -5.354 19.721 -8.426 1.00 54.10 C ATOM 935 OD1 ASP A 56 -4.974 18.998 -7.481 1.00 73.55 O ATOM 936 OD2 ASP A 56 -4.576 20.412 -9.116 1.00 30.11 O ATOM 0 H ASP A 56 -8.864 19.248 -7.454 1.00 32.14 H new ATOM 0 HA ASP A 56 -6.911 21.236 -7.191 1.00 40.35 H new ATOM 0 HB2 ASP A 56 -7.275 18.786 -8.550 1.00 74.00 H new ATOM 0 HB3 ASP A 56 -6.963 19.956 -9.817 1.00 74.00 H new ATOM 941 N LEU A 57 -8.954 21.669 -9.763 1.00 1.13 N ATOM 942 CA LEU A 57 -9.457 22.665 -10.703 1.00 22.12 C ATOM 943 C LEU A 57 -10.539 23.525 -10.058 1.00 21.11 C ATOM 944 O LEU A 57 -10.677 24.707 -10.372 1.00 44.24 O ATOM 945 CB LEU A 57 -10.011 21.980 -11.953 1.00 54.22 C ATOM 946 CG LEU A 57 -10.612 20.589 -11.746 1.00 44.14 C ATOM 947 CD1 LEU A 57 -11.789 20.371 -12.684 1.00 12.23 C ATOM 948 CD2 LEU A 57 -9.554 19.515 -11.957 1.00 51.30 C ATOM 0 H LEU A 57 -9.382 20.748 -9.855 1.00 1.13 H new ATOM 0 HA LEU A 57 -8.627 23.312 -10.988 1.00 22.12 H new ATOM 0 HB2 LEU A 57 -10.776 22.624 -12.387 1.00 54.22 H new ATOM 0 HB3 LEU A 57 -9.208 21.901 -12.686 1.00 54.22 H new ATOM 0 HG LEU A 57 -10.974 20.519 -10.720 1.00 44.14 H new ATOM 0 HD11 LEU A 57 -12.204 19.376 -12.522 1.00 12.23 H new ATOM 0 HD12 LEU A 57 -12.556 21.120 -12.486 1.00 12.23 H new ATOM 0 HD13 LEU A 57 -11.452 20.460 -13.717 1.00 12.23 H new ATOM 0 HD21 LEU A 57 -9.999 18.531 -11.806 1.00 51.30 H new ATOM 0 HD22 LEU A 57 -9.163 19.584 -12.972 1.00 51.30 H new ATOM 0 HD23 LEU A 57 -8.742 19.659 -11.244 1.00 51.30 H new ATOM 960 N VAL A 58 -11.304 22.924 -9.152 1.00 61.20 N ATOM 961 CA VAL A 58 -12.372 23.635 -8.460 1.00 3.33 C ATOM 962 C VAL A 58 -11.847 24.905 -7.798 1.00 74.31 C ATOM 963 O VAL A 58 -12.490 25.954 -7.848 1.00 64.12 O ATOM 964 CB VAL A 58 -13.035 22.748 -7.390 1.00 13.34 C ATOM 965 CG1 VAL A 58 -14.088 23.534 -6.622 1.00 61.23 C ATOM 966 CG2 VAL A 58 -13.643 21.509 -8.028 1.00 75.30 C ATOM 0 H VAL A 58 -11.204 21.946 -8.880 1.00 61.20 H new ATOM 0 HA VAL A 58 -13.115 23.901 -9.212 1.00 3.33 H new ATOM 0 HB VAL A 58 -12.269 22.427 -6.684 1.00 13.34 H new ATOM 0 HG11 VAL A 58 -14.546 22.891 -5.870 1.00 61.23 H new ATOM 0 HG12 VAL A 58 -13.620 24.388 -6.132 1.00 61.23 H new ATOM 0 HG13 VAL A 58 -14.854 23.887 -7.312 1.00 61.23 H new ATOM 0 HG21 VAL A 58 -14.107 20.894 -7.257 1.00 75.30 H new ATOM 0 HG22 VAL A 58 -14.397 21.808 -8.757 1.00 75.30 H new ATOM 0 HG23 VAL A 58 -12.862 20.936 -8.528 1.00 75.30 H new ATOM 976 N ASP A 59 -10.677 24.802 -7.179 1.00 4.10 N ATOM 977 CA ASP A 59 -10.064 25.943 -6.508 1.00 61.20 C ATOM 978 C ASP A 59 -9.352 26.845 -7.511 1.00 25.10 C ATOM 979 O ASP A 59 -8.678 27.802 -7.130 1.00 42.44 O ATOM 980 CB ASP A 59 -9.077 25.465 -5.442 1.00 64.32 C ATOM 981 CG ASP A 59 -9.773 24.916 -4.212 1.00 40.23 C ATOM 982 OD1 ASP A 59 -10.953 24.524 -4.325 1.00 30.13 O ATOM 983 OD2 ASP A 59 -9.138 24.880 -3.137 1.00 72.12 O ATOM 0 H ASP A 59 -10.133 23.940 -7.127 1.00 4.10 H new ATOM 0 HA ASP A 59 -10.855 26.518 -6.027 1.00 61.20 H new ATOM 0 HB2 ASP A 59 -8.434 24.694 -5.866 1.00 64.32 H new ATOM 0 HB3 ASP A 59 -8.432 26.294 -5.151 1.00 64.32 H new ATOM 988 N ASP A 60 -9.504 26.532 -8.793 1.00 33.11 N ATOM 989 CA ASP A 60 -8.876 27.314 -9.851 1.00 43.01 C ATOM 990 C ASP A 60 -9.925 28.044 -10.684 1.00 0.14 C ATOM 991 O ASP A 60 -9.618 29.015 -11.376 1.00 10.25 O ATOM 992 CB ASP A 60 -8.032 26.409 -10.751 1.00 10.44 C ATOM 993 CG ASP A 60 -6.608 26.908 -10.901 1.00 52.11 C ATOM 994 OD1 ASP A 60 -6.379 27.801 -11.744 1.00 24.54 O ATOM 995 OD2 ASP A 60 -5.723 26.405 -10.177 1.00 14.21 O ATOM 0 H ASP A 60 -10.057 25.742 -9.125 1.00 33.11 H new ATOM 0 HA ASP A 60 -8.228 28.056 -9.384 1.00 43.01 H new ATOM 0 HB2 ASP A 60 -8.019 25.401 -10.338 1.00 10.44 H new ATOM 0 HB3 ASP A 60 -8.497 26.344 -11.735 1.00 10.44 H new ATOM 1000 N PHE A 61 -11.164 27.570 -10.613 1.00 33.33 N ATOM 1001 CA PHE A 61 -12.259 28.176 -11.361 1.00 70.13 C ATOM 1002 C PHE A 61 -13.095 29.083 -10.464 1.00 1.54 C ATOM 1003 O PHE A 61 -13.228 30.279 -10.724 1.00 71.43 O ATOM 1004 CB PHE A 61 -13.146 27.092 -11.977 1.00 21.30 C ATOM 1005 CG PHE A 61 -14.412 27.626 -12.583 1.00 70.34 C ATOM 1006 CD1 PHE A 61 -14.430 28.085 -13.891 1.00 23.33 C ATOM 1007 CD2 PHE A 61 -15.585 27.668 -11.847 1.00 4.35 C ATOM 1008 CE1 PHE A 61 -15.593 28.577 -14.451 1.00 12.33 C ATOM 1009 CE2 PHE A 61 -16.751 28.159 -12.401 1.00 53.54 C ATOM 1010 CZ PHE A 61 -16.756 28.614 -13.706 1.00 23.43 C ATOM 0 H PHE A 61 -11.435 26.768 -10.045 1.00 33.33 H new ATOM 0 HA PHE A 61 -11.829 28.781 -12.159 1.00 70.13 H new ATOM 0 HB2 PHE A 61 -12.580 26.563 -12.744 1.00 21.30 H new ATOM 0 HB3 PHE A 61 -13.400 26.362 -11.209 1.00 21.30 H new ATOM 0 HD1 PHE A 61 -13.524 28.058 -14.479 1.00 23.33 H new ATOM 0 HD2 PHE A 61 -15.588 27.312 -10.827 1.00 4.35 H new ATOM 0 HE1 PHE A 61 -15.593 28.933 -15.471 1.00 12.33 H new ATOM 0 HE2 PHE A 61 -17.658 28.187 -11.815 1.00 53.54 H new ATOM 0 HZ PHE A 61 -17.667 28.997 -14.142 1.00 23.43 H new