USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00213 X(o=-0.0021,f=-0.44) USER MOD Single : A 38 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.024) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.0015) USER MOD Single : A 46 TYR OH : rot 60:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -166:sc=-0.000517 (180deg=-0.2) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -19:sc= 0.582 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.079) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 34.420 -15.834 1.921 1.00 0.00 N ATOM 232 CA ARG A 18 35.873 -15.769 1.814 1.00 0.00 C ATOM 233 C ARG A 18 36.520 -16.998 2.445 1.00 0.00 C ATOM 234 O ARG A 18 36.233 -17.344 3.592 1.00 0.00 O ATOM 235 CB ARG A 18 36.399 -14.500 2.486 1.00 0.00 C ATOM 236 CG ARG A 18 36.173 -14.468 3.989 1.00 0.00 C ATOM 237 CD ARG A 18 37.435 -14.842 4.751 1.00 0.00 C ATOM 238 NE ARG A 18 37.591 -14.055 5.971 1.00 0.00 N ATOM 239 CZ ARG A 18 38.443 -14.366 6.942 1.00 0.00 C ATOM 240 NH1 ARG A 18 39.211 -15.441 6.835 1.00 0.00 N ATOM 241 NH2 ARG A 18 38.528 -13.600 8.022 1.00 0.00 N ATOM 0 HA ARG A 18 36.134 -15.746 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.467 -14.409 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 18 35.915 -13.633 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.848 -13.471 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 18 35.370 -15.157 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 37.405 -15.902 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.304 -14.692 4.110 1.00 0.00 H new ATOM 0 HE ARG A 18 37.015 -13.221 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.149 -16.032 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.864 -15.677 7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 18 37.939 -12.772 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 18 39.182 -13.840 8.767 1.00 0.00 H new ATOM 255 N LEU A 19 37.395 -17.653 1.690 1.00 0.00 N ATOM 256 CA LEU A 19 38.083 -18.844 2.175 1.00 0.00 C ATOM 257 C LEU A 19 39.596 -18.678 2.075 1.00 0.00 C ATOM 258 O LEU A 19 40.092 -17.866 1.293 1.00 0.00 O ATOM 259 CB LEU A 19 37.640 -20.073 1.378 1.00 0.00 C ATOM 260 CG LEU A 19 36.133 -20.320 1.308 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.835 -21.573 0.499 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.546 -20.434 2.707 1.00 0.00 C ATOM 0 H LEU A 19 37.645 -17.379 0.740 1.00 0.00 H new ATOM 0 HA LEU A 19 37.820 -18.984 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 19 38.020 -19.978 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.112 -20.953 1.814 1.00 0.00 H new ATOM 0 HG LEU A 19 35.667 -19.470 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.758 -21.733 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.221 -21.453 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.313 -22.432 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.472 -20.610 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.017 -21.265 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.728 -19.509 3.254 1.00 0.00 H new ATOM 274 N LEU A 20 40.325 -19.452 2.871 1.00 0.00 N ATOM 275 CA LEU A 20 41.782 -19.392 2.871 1.00 0.00 C ATOM 276 C LEU A 20 42.383 -20.735 2.468 1.00 0.00 C ATOM 277 O LEU A 20 41.714 -21.766 2.519 1.00 0.00 O ATOM 278 CB LEU A 20 42.296 -18.986 4.254 1.00 0.00 C ATOM 279 CG LEU A 20 42.624 -17.504 4.440 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.042 -17.226 5.875 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.716 -17.074 3.471 1.00 0.00 C ATOM 0 H LEU A 20 39.931 -20.129 3.525 1.00 0.00 H new ATOM 0 HA LEU A 20 42.089 -18.643 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.548 -19.268 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.193 -19.566 4.471 1.00 0.00 H new ATOM 0 HG LEU A 20 41.727 -16.923 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.272 -16.166 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.229 -17.495 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 43.925 -17.817 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 20 43.937 -16.017 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.616 -17.661 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.378 -17.236 2.447 1.00 0.00 H new ATOM 293 N GLY A 21 43.651 -20.715 2.068 1.00 0.00 N ATOM 294 CA GLY A 21 44.321 -21.937 1.663 1.00 0.00 C ATOM 295 C GLY A 21 45.829 -21.791 1.642 1.00 0.00 C ATOM 296 O GLY A 21 46.374 -20.822 2.171 1.00 0.00 O ATOM 0 H GLY A 21 44.226 -19.874 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.046 -22.742 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 21 43.973 -22.227 0.672 1.00 0.00 H new ATOM 300 N TYR A 22 46.506 -22.757 1.030 1.00 0.00 N ATOM 301 CA TYR A 22 47.962 -22.734 0.946 1.00 0.00 C ATOM 302 C TYR A 22 48.437 -23.233 -0.415 1.00 0.00 C ATOM 303 O TYR A 22 47.993 -24.276 -0.897 1.00 0.00 O ATOM 304 CB TYR A 22 48.571 -23.591 2.057 1.00 0.00 C ATOM 305 CG TYR A 22 48.083 -23.226 3.441 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.612 -22.134 4.119 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.094 -23.972 4.069 1.00 0.00 C ATOM 308 CE1 TYR A 22 48.169 -21.797 5.384 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.645 -23.641 5.333 1.00 0.00 C ATOM 310 CZ TYR A 22 47.185 -22.553 5.986 1.00 0.00 C ATOM 311 OH TYR A 22 46.741 -22.221 7.246 1.00 0.00 O ATOM 0 H TYR A 22 46.070 -23.565 0.585 1.00 0.00 H new ATOM 0 HA TYR A 22 48.292 -21.702 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.340 -24.639 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.656 -23.493 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 22 49.382 -21.539 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.669 -24.825 3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.591 -20.946 5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.875 -24.231 5.807 1.00 0.00 H new ATOM 0 HH TYR A 22 46.046 -22.853 7.525 1.00 0.00 H new ATOM 321 N VAL A 23 49.343 -22.481 -1.031 1.00 0.00 N ATOM 322 CA VAL A 23 49.881 -22.846 -2.336 1.00 0.00 C ATOM 323 C VAL A 23 50.574 -24.203 -2.284 1.00 0.00 C ATOM 324 O VAL A 23 51.673 -24.330 -1.744 1.00 0.00 O ATOM 325 CB VAL A 23 50.880 -21.791 -2.846 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.390 -22.164 -4.230 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.237 -20.412 -2.860 1.00 0.00 C ATOM 0 H VAL A 23 49.720 -21.615 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 23 49.037 -22.898 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 23 51.732 -21.763 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.095 -21.407 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 23 51.890 -23.132 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.551 -22.221 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 23 50.957 -19.679 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.367 -20.423 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 23 49.926 -20.146 -1.850 1.00 0.00 H new ATOM 337 N ALA A 24 49.925 -25.215 -2.850 1.00 0.00 N ATOM 338 CA ALA A 24 50.479 -26.563 -2.871 1.00 0.00 C ATOM 339 C ALA A 24 51.518 -26.712 -3.978 1.00 0.00 C ATOM 340 O ALA A 24 52.583 -27.295 -3.771 1.00 0.00 O ATOM 341 CB ALA A 24 49.369 -27.588 -3.046 1.00 0.00 C ATOM 0 H ALA A 24 49.014 -25.127 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 24 50.974 -26.740 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.798 -28.590 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.664 -27.506 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.848 -27.403 -3.985 1.00 0.00 H new ATOM 347 N THR A 25 51.201 -26.181 -5.156 1.00 0.00 N ATOM 348 CA THR A 25 52.106 -26.257 -6.296 1.00 0.00 C ATOM 349 C THR A 25 51.886 -25.089 -7.250 1.00 0.00 C ATOM 350 O THR A 25 50.748 -24.713 -7.535 1.00 0.00 O ATOM 351 CB THR A 25 51.927 -27.577 -7.068 1.00 0.00 C ATOM 352 OG1 THR A 25 52.009 -28.687 -6.167 1.00 0.00 O ATOM 353 CG2 THR A 25 52.986 -27.718 -8.151 1.00 0.00 C ATOM 0 H THR A 25 50.325 -25.694 -5.345 1.00 0.00 H new ATOM 0 HA THR A 25 53.120 -26.212 -5.899 1.00 0.00 H new ATOM 0 HB THR A 25 50.945 -27.565 -7.541 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.893 -29.522 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 25 52.839 -28.658 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.902 -26.887 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.976 -27.710 -7.695 1.00 0.00 H new ATOM 361 N LEU A 26 52.980 -24.520 -7.743 1.00 0.00 N ATOM 362 CA LEU A 26 52.907 -23.394 -8.668 1.00 0.00 C ATOM 363 C LEU A 26 53.536 -23.750 -10.011 1.00 0.00 C ATOM 364 O LEU A 26 54.755 -23.882 -10.123 1.00 0.00 O ATOM 365 CB LEU A 26 53.608 -22.172 -8.072 1.00 0.00 C ATOM 366 CG LEU A 26 52.707 -21.159 -7.365 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.527 -20.260 -6.453 1.00 0.00 C ATOM 368 CD2 LEU A 26 51.937 -20.330 -8.383 1.00 0.00 C ATOM 0 H LEU A 26 53.929 -24.820 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 26 51.855 -23.158 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.358 -22.519 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.141 -21.658 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 26 51.989 -21.705 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.869 -19.546 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.033 -20.867 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.268 -19.722 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.301 -19.614 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.639 -19.794 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.319 -20.987 -8.995 1.00 0.00 H new ATOM 380 N LYS A 27 52.696 -23.904 -11.029 1.00 0.00 N ATOM 381 CA LYS A 27 53.168 -24.242 -12.367 1.00 0.00 C ATOM 382 C LYS A 27 53.420 -22.982 -13.189 1.00 0.00 C ATOM 383 O LYS A 27 53.354 -21.867 -12.671 1.00 0.00 O ATOM 384 CB LYS A 27 52.150 -25.134 -13.080 1.00 0.00 C ATOM 385 CG LYS A 27 51.668 -26.301 -12.236 1.00 0.00 C ATOM 386 CD LYS A 27 52.792 -27.285 -11.952 1.00 0.00 C ATOM 387 CE LYS A 27 52.277 -28.714 -11.883 1.00 0.00 C ATOM 388 NZ LYS A 27 52.291 -29.374 -13.218 1.00 0.00 N ATOM 0 H LYS A 27 51.684 -23.800 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 27 54.108 -24.784 -12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.292 -24.529 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 27 52.596 -25.519 -13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.263 -25.928 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 50.856 -26.814 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 53.550 -27.208 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.275 -27.025 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.890 -29.288 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 27 51.261 -28.715 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 51.933 -30.346 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 51.686 -28.841 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 53.264 -29.396 -13.584 1.00 0.00 H new ATOM 402 N ASP A 28 53.707 -23.167 -14.473 1.00 0.00 N ATOM 403 CA ASP A 28 53.965 -22.045 -15.368 1.00 0.00 C ATOM 404 C ASP A 28 52.724 -21.706 -16.188 1.00 0.00 C ATOM 405 O ASP A 28 52.815 -21.426 -17.382 1.00 0.00 O ATOM 406 CB ASP A 28 55.135 -22.366 -16.299 1.00 0.00 C ATOM 407 CG ASP A 28 55.950 -21.138 -16.651 1.00 0.00 C ATOM 408 OD1 ASP A 28 55.450 -20.296 -17.426 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.089 -21.018 -16.152 1.00 0.00 O ATOM 0 H ASP A 28 53.767 -24.083 -14.917 1.00 0.00 H new ATOM 0 HA ASP A 28 54.223 -21.179 -14.759 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.782 -23.103 -15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.753 -22.819 -17.214 1.00 0.00 H new ATOM 414 N ASN A 29 51.565 -21.736 -15.538 1.00 0.00 N ATOM 415 CA ASN A 29 50.306 -21.434 -16.208 1.00 0.00 C ATOM 416 C ASN A 29 49.150 -21.419 -15.211 1.00 0.00 C ATOM 417 O ASN A 29 48.254 -20.579 -15.297 1.00 0.00 O ATOM 418 CB ASN A 29 50.031 -22.459 -17.309 1.00 0.00 C ATOM 419 CG ASN A 29 49.228 -21.875 -18.456 1.00 0.00 C ATOM 420 OD1 ASN A 29 48.159 -21.301 -18.250 1.00 0.00 O ATOM 421 ND2 ASN A 29 49.742 -22.020 -19.672 1.00 0.00 N ATOM 0 H ASN A 29 51.472 -21.966 -14.549 1.00 0.00 H new ATOM 0 HA ASN A 29 50.390 -20.444 -16.656 1.00 0.00 H new ATOM 0 HB2 ASN A 29 50.978 -22.842 -17.690 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.492 -23.307 -16.886 1.00 0.00 H new ATOM 0 HD21 ASN A 29 49.247 -21.648 -20.483 1.00 0.00 H new ATOM 0 HD22 ASN A 29 50.632 -22.503 -19.795 1.00 0.00 H new ATOM 428 N PHE A 30 49.178 -22.353 -14.267 1.00 0.00 N ATOM 429 CA PHE A 30 48.133 -22.448 -13.254 1.00 0.00 C ATOM 430 C PHE A 30 48.693 -23.000 -11.946 1.00 0.00 C ATOM 431 O PHE A 30 49.617 -23.811 -11.946 1.00 0.00 O ATOM 432 CB PHE A 30 46.993 -23.339 -13.750 1.00 0.00 C ATOM 433 CG PHE A 30 47.461 -24.631 -14.358 1.00 0.00 C ATOM 434 CD1 PHE A 30 47.915 -25.665 -13.555 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.448 -24.810 -15.732 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.346 -26.855 -14.111 1.00 0.00 C ATOM 437 CE2 PHE A 30 47.878 -25.997 -16.293 1.00 0.00 C ATOM 438 CZ PHE A 30 48.329 -27.020 -15.482 1.00 0.00 C ATOM 0 H PHE A 30 49.913 -23.055 -14.182 1.00 0.00 H new ATOM 0 HA PHE A 30 47.747 -21.445 -13.069 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.326 -23.560 -12.916 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.409 -22.790 -14.489 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.932 -25.540 -12.482 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.098 -24.013 -16.371 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.695 -27.654 -13.474 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.862 -26.125 -17.365 1.00 0.00 H new ATOM 0 HZ PHE A 30 48.668 -27.948 -15.919 1.00 0.00 H new ATOM 448 N GLY A 31 48.124 -22.552 -10.831 1.00 0.00 N ATOM 449 CA GLY A 31 48.578 -23.010 -9.531 1.00 0.00 C ATOM 450 C GLY A 31 47.541 -23.856 -8.819 1.00 0.00 C ATOM 451 O GLY A 31 46.397 -23.952 -9.263 1.00 0.00 O ATOM 0 H GLY A 31 47.357 -21.880 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.493 -23.589 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.826 -22.148 -8.912 1.00 0.00 H new ATOM 455 N PHE A 32 47.941 -24.472 -7.712 1.00 0.00 N ATOM 456 CA PHE A 32 47.039 -25.317 -6.938 1.00 0.00 C ATOM 457 C PHE A 32 46.997 -24.875 -5.478 1.00 0.00 C ATOM 458 O PHE A 32 48.010 -24.455 -4.917 1.00 0.00 O ATOM 459 CB PHE A 32 47.474 -26.781 -7.028 1.00 0.00 C ATOM 460 CG PHE A 32 47.189 -27.411 -8.361 1.00 0.00 C ATOM 461 CD1 PHE A 32 45.887 -27.686 -8.748 1.00 0.00 C ATOM 462 CD2 PHE A 32 48.222 -27.729 -9.227 1.00 0.00 C ATOM 463 CE1 PHE A 32 45.621 -28.265 -9.974 1.00 0.00 C ATOM 464 CE2 PHE A 32 47.962 -28.308 -10.455 1.00 0.00 C ATOM 465 CZ PHE A 32 46.660 -28.578 -10.828 1.00 0.00 C ATOM 0 H PHE A 32 48.884 -24.402 -7.330 1.00 0.00 H new ATOM 0 HA PHE A 32 46.038 -25.217 -7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.543 -26.847 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.966 -27.351 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 32 45.071 -27.445 -8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 32 49.242 -27.522 -8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 32 44.602 -28.473 -10.264 1.00 0.00 H new ATOM 0 HE2 PHE A 32 48.776 -28.549 -11.122 1.00 0.00 H new ATOM 0 HZ PHE A 32 46.455 -29.033 -11.786 1.00 0.00 H new ATOM 475 N ILE A 33 45.820 -24.972 -4.870 1.00 0.00 N ATOM 476 CA ILE A 33 45.647 -24.583 -3.476 1.00 0.00 C ATOM 477 C ILE A 33 45.018 -25.711 -2.665 1.00 0.00 C ATOM 478 O ILE A 33 43.903 -26.147 -2.950 1.00 0.00 O ATOM 479 CB ILE A 33 44.770 -23.324 -3.348 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.386 -22.165 -4.134 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.597 -22.946 -1.885 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.432 -21.012 -4.358 1.00 0.00 C ATOM 0 H ILE A 33 44.972 -25.316 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 33 46.640 -24.366 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 33 43.787 -23.540 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.264 -21.801 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.730 -22.534 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.975 -22.054 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 33 44.119 -23.767 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.573 -22.745 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.936 -20.227 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.565 -21.361 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.107 -20.616 -3.396 1.00 0.00 H new ATOM 494 N GLU A 34 45.742 -26.179 -1.652 1.00 0.00 N ATOM 495 CA GLU A 34 45.254 -27.256 -0.799 1.00 0.00 C ATOM 496 C GLU A 34 44.447 -26.700 0.371 1.00 0.00 C ATOM 497 O GLU A 34 44.997 -26.078 1.281 1.00 0.00 O ATOM 498 CB GLU A 34 46.424 -28.091 -0.275 1.00 0.00 C ATOM 499 CG GLU A 34 46.667 -29.363 -1.068 1.00 0.00 C ATOM 500 CD GLU A 34 48.027 -29.974 -0.789 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.981 -29.210 -0.537 1.00 0.00 O ATOM 502 OE2 GLU A 34 48.136 -31.218 -0.823 1.00 0.00 O ATOM 0 H GLU A 34 46.667 -25.829 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 34 44.602 -27.892 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.329 -27.484 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.235 -28.352 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.890 -30.090 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.582 -29.145 -2.133 1.00 0.00 H new ATOM 509 N THR A 35 43.138 -26.928 0.341 1.00 0.00 N ATOM 510 CA THR A 35 42.254 -26.450 1.397 1.00 0.00 C ATOM 511 C THR A 35 42.762 -26.869 2.772 1.00 0.00 C ATOM 512 O THR A 35 43.642 -27.722 2.885 1.00 0.00 O ATOM 513 CB THR A 35 40.819 -26.977 1.210 1.00 0.00 C ATOM 514 OG1 THR A 35 40.801 -28.403 1.329 1.00 0.00 O ATOM 515 CG2 THR A 35 40.265 -26.569 -0.147 1.00 0.00 C ATOM 0 H THR A 35 42.666 -27.441 -0.404 1.00 0.00 H new ATOM 0 HA THR A 35 42.245 -25.362 1.332 1.00 0.00 H new ATOM 0 HB THR A 35 40.191 -26.540 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 35 39.885 -28.730 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.251 -26.953 -0.256 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.252 -25.482 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.895 -26.980 -0.936 1.00 0.00 H new ATOM 523 N ALA A 36 42.202 -26.265 3.814 1.00 0.00 N ATOM 524 CA ALA A 36 42.597 -26.578 5.182 1.00 0.00 C ATOM 525 C ALA A 36 42.388 -28.058 5.488 1.00 0.00 C ATOM 526 O ALA A 36 43.122 -28.647 6.280 1.00 0.00 O ATOM 527 CB ALA A 36 41.818 -25.718 6.166 1.00 0.00 C ATOM 0 H ALA A 36 41.473 -25.556 3.737 1.00 0.00 H new ATOM 0 HA ALA A 36 43.659 -26.358 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.123 -25.962 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.021 -24.665 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 36 40.751 -25.909 6.051 1.00 0.00 H new ATOM 533 N ASN A 37 41.381 -28.652 4.856 1.00 0.00 N ATOM 534 CA ASN A 37 41.075 -30.062 5.062 1.00 0.00 C ATOM 535 C ASN A 37 42.072 -30.949 4.324 1.00 0.00 C ATOM 536 O ASN A 37 42.283 -32.105 4.692 1.00 0.00 O ATOM 537 CB ASN A 37 39.653 -30.372 4.589 1.00 0.00 C ATOM 538 CG ASN A 37 38.629 -29.414 5.169 1.00 0.00 C ATOM 539 OD1 ASN A 37 38.436 -28.311 4.659 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.968 -29.834 6.241 1.00 0.00 N ATOM 0 H ASN A 37 40.763 -28.178 4.197 1.00 0.00 H new ATOM 0 HA ASN A 37 41.150 -30.271 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.616 -30.324 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.393 -31.392 4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.267 -29.234 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 37 38.161 -30.757 6.630 1.00 0.00 H new ATOM 547 N HIS A 38 42.685 -30.400 3.280 1.00 0.00 N ATOM 548 CA HIS A 38 43.662 -31.140 2.490 1.00 0.00 C ATOM 549 C HIS A 38 43.014 -32.347 1.817 1.00 0.00 C ATOM 550 O HIS A 38 43.648 -33.388 1.643 1.00 0.00 O ATOM 551 CB HIS A 38 44.823 -31.597 3.374 1.00 0.00 C ATOM 552 CG HIS A 38 45.398 -30.503 4.219 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.416 -30.548 5.597 1.00 0.00 N ATOM 554 CD2 HIS A 38 45.980 -29.331 3.874 1.00 0.00 C ATOM 555 CE1 HIS A 38 45.983 -29.449 6.064 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.334 -28.694 5.038 1.00 0.00 N ATOM 0 H HIS A 38 42.522 -29.445 2.962 1.00 0.00 H new ATOM 0 HA HIS A 38 44.045 -30.476 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.480 -32.403 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.610 -32.009 2.742 1.00 0.00 H new ATOM 0 HD2 HIS A 38 46.137 -28.965 2.870 1.00 0.00 H new ATOM 0 HE1 HIS A 38 46.134 -29.209 7.106 1.00 0.00 H new ATOM 0 HE2 HIS A 38 46.793 -27.785 5.100 1.00 0.00 H new ATOM 564 N ASP A 39 41.749 -32.200 1.441 1.00 0.00 N ATOM 565 CA ASP A 39 41.015 -33.277 0.787 1.00 0.00 C ATOM 566 C ASP A 39 40.715 -32.926 -0.667 1.00 0.00 C ATOM 567 O ASP A 39 40.559 -33.808 -1.511 1.00 0.00 O ATOM 568 CB ASP A 39 39.712 -33.563 1.534 1.00 0.00 C ATOM 569 CG ASP A 39 39.229 -34.986 1.334 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.992 -35.921 1.653 1.00 0.00 O ATOM 571 OD2 ASP A 39 38.089 -35.165 0.856 1.00 0.00 O ATOM 0 H ASP A 39 41.210 -31.345 1.578 1.00 0.00 H new ATOM 0 HA ASP A 39 41.639 -34.171 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.859 -33.379 2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.942 -32.870 1.194 1.00 0.00 H new ATOM 576 N LYS A 40 40.636 -31.631 -0.953 1.00 0.00 N ATOM 577 CA LYS A 40 40.355 -31.161 -2.305 1.00 0.00 C ATOM 578 C LYS A 40 41.356 -30.090 -2.728 1.00 0.00 C ATOM 579 O LYS A 40 41.888 -29.361 -1.892 1.00 0.00 O ATOM 580 CB LYS A 40 38.932 -30.605 -2.388 1.00 0.00 C ATOM 581 CG LYS A 40 38.405 -30.492 -3.809 1.00 0.00 C ATOM 582 CD LYS A 40 36.987 -29.947 -3.836 1.00 0.00 C ATOM 583 CE LYS A 40 35.962 -31.068 -3.920 1.00 0.00 C ATOM 584 NZ LYS A 40 34.575 -30.542 -4.051 1.00 0.00 N ATOM 0 H LYS A 40 40.763 -30.887 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 40 40.448 -32.009 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 40 38.266 -31.247 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.908 -29.620 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 40 39.058 -29.840 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 40 38.428 -31.472 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.807 -29.354 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.869 -29.279 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.191 -31.706 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.031 -31.691 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.906 -31.336 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.347 -29.954 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 34.502 -29.968 -4.915 1.00 0.00 H new ATOM 598 N GLU A 41 41.606 -30.002 -4.030 1.00 0.00 N ATOM 599 CA GLU A 41 42.543 -29.019 -4.563 1.00 0.00 C ATOM 600 C GLU A 41 41.826 -28.014 -5.460 1.00 0.00 C ATOM 601 O GLU A 41 40.903 -28.370 -6.193 1.00 0.00 O ATOM 602 CB GLU A 41 43.656 -29.716 -5.347 1.00 0.00 C ATOM 603 CG GLU A 41 44.688 -30.397 -4.464 1.00 0.00 C ATOM 604 CD GLU A 41 45.960 -30.743 -5.213 1.00 0.00 C ATOM 605 OE1 GLU A 41 45.860 -31.216 -6.365 1.00 0.00 O ATOM 606 OE2 GLU A 41 47.056 -30.542 -4.648 1.00 0.00 O ATOM 0 H GLU A 41 41.174 -30.599 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 41 42.982 -28.481 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.212 -30.458 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.158 -28.983 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.931 -29.744 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.258 -31.307 -4.045 1.00 0.00 H new ATOM 613 N ILE A 42 42.257 -26.759 -5.395 1.00 0.00 N ATOM 614 CA ILE A 42 41.657 -25.703 -6.201 1.00 0.00 C ATOM 615 C ILE A 42 42.478 -25.439 -7.459 1.00 0.00 C ATOM 616 O ILE A 42 43.704 -25.552 -7.449 1.00 0.00 O ATOM 617 CB ILE A 42 41.525 -24.393 -5.404 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.845 -24.655 -4.058 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.744 -23.362 -6.205 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.436 -25.191 -4.188 1.00 0.00 C ATOM 0 H ILE A 42 43.019 -26.449 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 42 40.663 -26.048 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 42 42.523 -23.998 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.445 -25.366 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.821 -23.728 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.659 -22.441 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.265 -23.157 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.748 -23.748 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.015 -25.353 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.822 -24.472 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.455 -26.135 -4.733 1.00 0.00 H new ATOM 632 N PHE A 43 41.794 -25.085 -8.542 1.00 0.00 N ATOM 633 CA PHE A 43 42.459 -24.803 -9.809 1.00 0.00 C ATOM 634 C PHE A 43 42.190 -23.370 -10.257 1.00 0.00 C ATOM 635 O PHE A 43 41.057 -23.009 -10.576 1.00 0.00 O ATOM 636 CB PHE A 43 41.988 -25.783 -10.885 1.00 0.00 C ATOM 637 CG PHE A 43 42.496 -25.453 -12.260 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.793 -24.589 -13.083 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.676 -26.008 -12.728 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.258 -24.283 -14.349 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.146 -25.705 -13.992 1.00 0.00 C ATOM 642 CZ PHE A 43 43.436 -24.843 -14.804 1.00 0.00 C ATOM 0 H PHE A 43 40.779 -24.987 -8.568 1.00 0.00 H new ATOM 0 HA PHE A 43 43.532 -24.923 -9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.314 -26.788 -10.617 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.898 -25.795 -10.902 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.871 -24.149 -12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.235 -26.685 -12.098 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.701 -23.607 -14.981 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.068 -26.142 -14.344 1.00 0.00 H new ATOM 0 HZ PHE A 43 43.801 -24.607 -15.793 1.00 0.00 H new ATOM 652 N PHE A 44 43.240 -22.556 -10.278 1.00 0.00 N ATOM 653 CA PHE A 44 43.118 -21.161 -10.686 1.00 0.00 C ATOM 654 C PHE A 44 44.112 -20.830 -11.796 1.00 0.00 C ATOM 655 O PHE A 44 45.265 -21.259 -11.760 1.00 0.00 O ATOM 656 CB PHE A 44 43.347 -20.236 -9.489 1.00 0.00 C ATOM 657 CG PHE A 44 44.783 -20.163 -9.053 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.638 -19.218 -9.596 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.277 -21.040 -8.101 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.959 -19.148 -9.197 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.597 -20.974 -7.698 1.00 0.00 C ATOM 662 CZ PHE A 44 47.440 -20.028 -8.247 1.00 0.00 C ATOM 0 H PHE A 44 44.185 -22.838 -10.017 1.00 0.00 H new ATOM 0 HA PHE A 44 42.109 -21.007 -11.068 1.00 0.00 H new ATOM 0 HB2 PHE A 44 43.002 -19.234 -9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.739 -20.580 -8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 44 45.268 -18.528 -10.340 1.00 0.00 H new ATOM 0 HD2 PHE A 44 44.623 -21.783 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 44 47.615 -18.406 -9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 44 46.969 -21.662 -6.954 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.473 -19.976 -7.934 1.00 0.00 H new ATOM 672 N HIS A 45 43.655 -20.064 -12.781 1.00 0.00 N ATOM 673 CA HIS A 45 44.503 -19.674 -13.903 1.00 0.00 C ATOM 674 C HIS A 45 45.252 -18.381 -13.594 1.00 0.00 C ATOM 675 O HIS A 45 44.743 -17.512 -12.885 1.00 0.00 O ATOM 676 CB HIS A 45 43.663 -19.502 -15.169 1.00 0.00 C ATOM 677 CG HIS A 45 44.251 -20.170 -16.373 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.559 -19.494 -17.534 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.588 -21.463 -16.592 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.059 -20.341 -18.416 1.00 0.00 C ATOM 681 NE2 HIS A 45 45.088 -21.543 -17.868 1.00 0.00 N ATOM 0 H HIS A 45 42.703 -19.701 -12.826 1.00 0.00 H new ATOM 0 HA HIS A 45 45.234 -20.466 -14.067 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.666 -19.905 -14.991 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.545 -18.438 -15.375 1.00 0.00 H new ATOM 0 HD2 HIS A 45 44.483 -22.279 -15.893 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.388 -20.093 -19.414 1.00 0.00 H new ATOM 0 HE2 HIS A 45 45.427 -22.392 -18.320 1.00 0.00 H new ATOM 689 N TYR A 46 46.461 -18.261 -14.130 1.00 0.00 N ATOM 690 CA TYR A 46 47.281 -17.076 -13.909 1.00 0.00 C ATOM 691 C TYR A 46 46.513 -15.808 -14.271 1.00 0.00 C ATOM 692 O TYR A 46 46.730 -14.749 -13.682 1.00 0.00 O ATOM 693 CB TYR A 46 48.567 -17.159 -14.733 1.00 0.00 C ATOM 694 CG TYR A 46 49.739 -17.732 -13.969 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.589 -18.858 -13.169 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.998 -17.149 -14.050 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.657 -19.384 -12.469 1.00 0.00 C ATOM 698 CE2 TYR A 46 52.072 -17.670 -13.354 1.00 0.00 C ATOM 699 CZ TYR A 46 51.896 -18.787 -12.565 1.00 0.00 C ATOM 700 OH TYR A 46 52.963 -19.310 -11.870 1.00 0.00 O ATOM 0 H TYR A 46 46.895 -18.970 -14.721 1.00 0.00 H new ATOM 0 HA TYR A 46 47.538 -17.035 -12.850 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.384 -17.772 -15.615 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.827 -16.161 -15.087 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.621 -19.330 -13.093 1.00 0.00 H new ATOM 0 HD2 TYR A 46 51.139 -16.274 -14.667 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.522 -20.258 -11.850 1.00 0.00 H new ATOM 0 HE2 TYR A 46 53.044 -17.205 -13.428 1.00 0.00 H new ATOM 0 HH TYR A 46 53.124 -20.231 -12.162 1.00 0.00 H new ATOM 710 N SER A 47 45.614 -15.925 -15.243 1.00 0.00 N ATOM 711 CA SER A 47 44.816 -14.788 -15.686 1.00 0.00 C ATOM 712 C SER A 47 43.797 -14.392 -14.622 1.00 0.00 C ATOM 713 O SER A 47 43.462 -13.217 -14.475 1.00 0.00 O ATOM 714 CB SER A 47 44.099 -15.121 -16.996 1.00 0.00 C ATOM 715 OG SER A 47 42.841 -15.725 -16.749 1.00 0.00 O ATOM 0 H SER A 47 45.420 -16.795 -15.738 1.00 0.00 H new ATOM 0 HA SER A 47 45.488 -13.946 -15.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.961 -14.211 -17.580 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.717 -15.792 -17.592 1.00 0.00 H new ATOM 0 HG SER A 47 42.402 -15.927 -17.602 1.00 0.00 H new ATOM 721 N GLU A 48 43.308 -15.383 -13.882 1.00 0.00 N ATOM 722 CA GLU A 48 42.326 -15.138 -12.832 1.00 0.00 C ATOM 723 C GLU A 48 42.982 -14.494 -11.614 1.00 0.00 C ATOM 724 O GLU A 48 42.330 -13.786 -10.846 1.00 0.00 O ATOM 725 CB GLU A 48 41.645 -16.447 -12.425 1.00 0.00 C ATOM 726 CG GLU A 48 40.838 -17.085 -13.543 1.00 0.00 C ATOM 727 CD GLU A 48 39.441 -16.508 -13.657 1.00 0.00 C ATOM 728 OE1 GLU A 48 38.751 -16.413 -12.621 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.038 -16.150 -14.784 1.00 0.00 O ATOM 0 H GLU A 48 43.576 -16.361 -13.990 1.00 0.00 H new ATOM 0 HA GLU A 48 41.575 -14.452 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.404 -17.153 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.988 -16.257 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.362 -16.947 -14.489 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.770 -18.159 -13.370 1.00 0.00 H new ATOM 736 N PHE A 49 44.276 -14.744 -11.443 1.00 0.00 N ATOM 737 CA PHE A 49 45.020 -14.190 -10.319 1.00 0.00 C ATOM 738 C PHE A 49 45.350 -12.719 -10.556 1.00 0.00 C ATOM 739 O PHE A 49 45.923 -12.359 -11.583 1.00 0.00 O ATOM 740 CB PHE A 49 46.309 -14.983 -10.093 1.00 0.00 C ATOM 741 CG PHE A 49 46.955 -14.711 -8.764 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.884 -13.692 -8.627 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.633 -15.474 -7.653 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.481 -13.441 -7.406 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.226 -15.226 -6.429 1.00 0.00 C ATOM 746 CZ PHE A 49 48.150 -14.208 -6.305 1.00 0.00 C ATOM 0 H PHE A 49 44.831 -15.327 -12.069 1.00 0.00 H new ATOM 0 HA PHE A 49 44.394 -14.265 -9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 49 46.089 -16.048 -10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 49 47.016 -14.745 -10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 49 48.144 -13.088 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 49 45.911 -16.272 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 49 49.206 -12.646 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 49 46.967 -15.828 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.613 -14.011 -5.349 1.00 0.00 H new ATOM 756 N SER A 50 44.982 -11.875 -9.598 1.00 0.00 N ATOM 757 CA SER A 50 45.234 -10.442 -9.703 1.00 0.00 C ATOM 758 C SER A 50 46.366 -10.020 -8.772 1.00 0.00 C ATOM 759 O SER A 50 46.166 -9.848 -7.571 1.00 0.00 O ATOM 760 CB SER A 50 43.965 -9.654 -9.372 1.00 0.00 C ATOM 761 OG SER A 50 44.280 -8.360 -8.889 1.00 0.00 O ATOM 0 H SER A 50 44.508 -12.158 -8.740 1.00 0.00 H new ATOM 0 HA SER A 50 45.531 -10.224 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 50 43.342 -9.571 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.383 -10.193 -8.624 1.00 0.00 H new ATOM 0 HG SER A 50 43.452 -7.876 -8.686 1.00 0.00 H new ATOM 767 N GLY A 51 47.558 -9.854 -9.338 1.00 0.00 N ATOM 768 CA GLY A 51 48.706 -9.453 -8.545 1.00 0.00 C ATOM 769 C GLY A 51 50.005 -10.025 -9.075 1.00 0.00 C ATOM 770 O GLY A 51 50.134 -10.284 -10.272 1.00 0.00 O ATOM 0 H GLY A 51 47.749 -9.990 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.771 -8.365 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.563 -9.778 -7.514 1.00 0.00 H new ATOM 774 N ASP A 52 50.971 -10.221 -8.185 1.00 0.00 N ATOM 775 CA ASP A 52 52.268 -10.765 -8.570 1.00 0.00 C ATOM 776 C ASP A 52 52.300 -12.278 -8.382 1.00 0.00 C ATOM 777 O ASP A 52 52.786 -12.779 -7.368 1.00 0.00 O ATOM 778 CB ASP A 52 53.382 -10.113 -7.750 1.00 0.00 C ATOM 779 CG ASP A 52 53.190 -8.617 -7.597 1.00 0.00 C ATOM 780 OD1 ASP A 52 53.257 -7.903 -8.619 1.00 0.00 O ATOM 781 OD2 ASP A 52 52.973 -8.160 -6.455 1.00 0.00 O ATOM 0 H ASP A 52 50.880 -10.011 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 52 52.428 -10.545 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 52 53.420 -10.574 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 54.342 -10.306 -8.229 1.00 0.00 H new ATOM 786 N VAL A 53 51.777 -13.003 -9.367 1.00 0.00 N ATOM 787 CA VAL A 53 51.745 -14.459 -9.311 1.00 0.00 C ATOM 788 C VAL A 53 53.143 -15.046 -9.466 1.00 0.00 C ATOM 789 O VAL A 53 53.459 -16.086 -8.887 1.00 0.00 O ATOM 790 CB VAL A 53 50.831 -15.043 -10.404 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.344 -14.669 -11.786 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.724 -16.554 -10.257 1.00 0.00 C ATOM 0 H VAL A 53 51.370 -12.605 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 53 51.347 -14.729 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 53 49.835 -14.617 -10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.685 -15.091 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.364 -13.584 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.351 -15.064 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 53 50.074 -16.950 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.715 -17.000 -10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 53 50.306 -16.796 -9.280 1.00 0.00 H new ATOM 802 N ASP A 54 53.977 -14.372 -10.250 1.00 0.00 N ATOM 803 CA ASP A 54 55.344 -14.826 -10.481 1.00 0.00 C ATOM 804 C ASP A 54 56.188 -14.672 -9.220 1.00 0.00 C ATOM 805 O ASP A 54 57.165 -15.395 -9.022 1.00 0.00 O ATOM 806 CB ASP A 54 55.977 -14.041 -11.632 1.00 0.00 C ATOM 807 CG ASP A 54 55.240 -14.240 -12.942 1.00 0.00 C ATOM 808 OD1 ASP A 54 54.203 -13.574 -13.147 1.00 0.00 O ATOM 809 OD2 ASP A 54 55.700 -15.060 -13.763 1.00 0.00 O ATOM 0 H ASP A 54 53.731 -13.510 -10.736 1.00 0.00 H new ATOM 0 HA ASP A 54 55.310 -15.882 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.988 -12.980 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 54 57.015 -14.351 -11.752 1.00 0.00 H new ATOM 814 N SER A 55 55.805 -13.725 -8.370 1.00 0.00 N ATOM 815 CA SER A 55 56.529 -13.472 -7.129 1.00 0.00 C ATOM 816 C SER A 55 56.078 -14.431 -6.032 1.00 0.00 C ATOM 817 O SER A 55 56.836 -14.741 -5.111 1.00 0.00 O ATOM 818 CB SER A 55 56.320 -12.026 -6.677 1.00 0.00 C ATOM 819 OG SER A 55 56.981 -11.120 -7.542 1.00 0.00 O ATOM 0 H SER A 55 54.997 -13.120 -8.518 1.00 0.00 H new ATOM 0 HA SER A 55 57.590 -13.636 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 55 55.254 -11.800 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 55 56.694 -11.902 -5.661 1.00 0.00 H new ATOM 0 HG SER A 55 56.830 -10.203 -7.232 1.00 0.00 H new ATOM 825 N LEU A 56 54.839 -14.898 -6.136 1.00 0.00 N ATOM 826 CA LEU A 56 54.284 -15.823 -5.153 1.00 0.00 C ATOM 827 C LEU A 56 55.201 -17.026 -4.960 1.00 0.00 C ATOM 828 O LEU A 56 55.851 -17.480 -5.901 1.00 0.00 O ATOM 829 CB LEU A 56 52.895 -16.290 -5.591 1.00 0.00 C ATOM 830 CG LEU A 56 51.717 -15.741 -4.785 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.402 -16.279 -5.327 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.871 -16.088 -3.312 1.00 0.00 C ATOM 0 H LEU A 56 54.199 -14.652 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 56 54.200 -15.297 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.754 -16.015 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.867 -17.379 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 56 51.709 -14.655 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.575 -15.877 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.288 -15.979 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.399 -17.367 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 51.024 -15.689 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.905 -17.171 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.794 -15.652 -2.930 1.00 0.00 H new ATOM 844 N GLU A 57 55.245 -17.539 -3.734 1.00 0.00 N ATOM 845 CA GLU A 57 56.082 -18.691 -3.419 1.00 0.00 C ATOM 846 C GLU A 57 55.228 -19.883 -2.997 1.00 0.00 C ATOM 847 O GLU A 57 53.999 -19.840 -3.072 1.00 0.00 O ATOM 848 CB GLU A 57 57.073 -18.341 -2.308 1.00 0.00 C ATOM 849 CG GLU A 57 57.764 -17.002 -2.508 1.00 0.00 C ATOM 850 CD GLU A 57 56.954 -15.841 -1.965 1.00 0.00 C ATOM 851 OE1 GLU A 57 55.908 -16.093 -1.330 1.00 0.00 O ATOM 852 OE2 GLU A 57 57.364 -14.681 -2.176 1.00 0.00 O ATOM 0 H GLU A 57 54.712 -17.176 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 57 56.636 -18.962 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.547 -18.330 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.828 -19.124 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.737 -17.023 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.947 -16.847 -3.571 1.00 0.00 H new ATOM 859 N LEU A 58 55.887 -20.948 -2.552 1.00 0.00 N ATOM 860 CA LEU A 58 55.190 -22.153 -2.118 1.00 0.00 C ATOM 861 C LEU A 58 54.975 -22.144 -0.608 1.00 0.00 C ATOM 862 O LEU A 58 55.901 -21.888 0.160 1.00 0.00 O ATOM 863 CB LEU A 58 55.982 -23.398 -2.523 1.00 0.00 C ATOM 864 CG LEU A 58 56.239 -23.572 -4.021 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.009 -24.857 -4.285 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.927 -23.566 -4.791 1.00 0.00 C ATOM 0 H LEU A 58 56.903 -21.001 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 58 54.215 -22.174 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.943 -23.375 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.448 -24.277 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 58 56.844 -22.733 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.182 -24.964 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 58 57.966 -24.821 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 58 56.431 -25.708 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 55.129 -23.691 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.297 -24.384 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 54.414 -22.618 -4.628 1.00 0.00 H new ATOM 878 N GLY A 59 53.745 -22.426 -0.189 1.00 0.00 N ATOM 879 CA GLY A 59 53.430 -22.446 1.227 1.00 0.00 C ATOM 880 C GLY A 59 52.716 -21.188 1.681 1.00 0.00 C ATOM 881 O GLY A 59 52.062 -21.179 2.724 1.00 0.00 O ATOM 0 H GLY A 59 52.961 -22.641 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 59 52.806 -23.313 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.350 -22.564 1.799 1.00 0.00 H new ATOM 885 N ASP A 60 52.843 -20.123 0.897 1.00 0.00 N ATOM 886 CA ASP A 60 52.205 -18.853 1.224 1.00 0.00 C ATOM 887 C ASP A 60 50.686 -18.998 1.248 1.00 0.00 C ATOM 888 O ASP A 60 50.138 -19.974 0.738 1.00 0.00 O ATOM 889 CB ASP A 60 52.611 -17.779 0.213 1.00 0.00 C ATOM 890 CG ASP A 60 53.317 -16.607 0.866 1.00 0.00 C ATOM 891 OD1 ASP A 60 54.442 -16.800 1.371 1.00 0.00 O ATOM 892 OD2 ASP A 60 52.744 -15.497 0.872 1.00 0.00 O ATOM 0 H ASP A 60 53.382 -20.114 0.031 1.00 0.00 H new ATOM 0 HA ASP A 60 52.539 -18.552 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 60 53.265 -18.221 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.723 -17.420 -0.308 1.00 0.00 H new ATOM 897 N MET A 61 50.014 -18.020 1.847 1.00 0.00 N ATOM 898 CA MET A 61 48.558 -18.039 1.938 1.00 0.00 C ATOM 899 C MET A 61 47.935 -17.148 0.868 1.00 0.00 C ATOM 900 O MET A 61 48.526 -16.151 0.455 1.00 0.00 O ATOM 901 CB MET A 61 48.107 -17.582 3.326 1.00 0.00 C ATOM 902 CG MET A 61 47.651 -18.721 4.223 1.00 0.00 C ATOM 903 SD MET A 61 47.165 -18.159 5.866 1.00 0.00 S ATOM 904 CE MET A 61 48.762 -17.761 6.574 1.00 0.00 C ATOM 0 H MET A 61 50.453 -17.206 2.276 1.00 0.00 H new ATOM 0 HA MET A 61 48.221 -19.063 1.774 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.929 -17.055 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.291 -16.868 3.217 1.00 0.00 H new ATOM 0 HG2 MET A 61 46.810 -19.233 3.755 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.456 -19.450 4.316 1.00 0.00 H new ATOM 0 HE1 MET A 61 48.662 -17.639 7.652 1.00 0.00 H new ATOM 0 HE2 MET A 61 49.464 -18.568 6.364 1.00 0.00 H new ATOM 0 HE3 MET A 61 49.133 -16.834 6.137 1.00 0.00 H new ATOM 914 N VAL A 62 46.737 -17.516 0.423 1.00 0.00 N ATOM 915 CA VAL A 62 46.034 -16.749 -0.599 1.00 0.00 C ATOM 916 C VAL A 62 44.534 -16.720 -0.328 1.00 0.00 C ATOM 917 O VAL A 62 44.003 -17.580 0.373 1.00 0.00 O ATOM 918 CB VAL A 62 46.279 -17.329 -2.004 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.748 -17.210 -2.383 1.00 0.00 C ATOM 920 CG2 VAL A 62 45.819 -18.777 -2.071 1.00 0.00 C ATOM 0 H VAL A 62 46.234 -18.339 0.754 1.00 0.00 H new ATOM 0 HA VAL A 62 46.428 -15.733 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 62 45.695 -16.753 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 62 47.902 -17.625 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 62 48.041 -16.160 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.355 -17.759 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.000 -19.170 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.373 -19.369 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 62 44.754 -18.831 -1.847 1.00 0.00 H new ATOM 930 N GLU A 63 43.856 -15.723 -0.889 1.00 0.00 N ATOM 931 CA GLU A 63 42.416 -15.582 -0.707 1.00 0.00 C ATOM 932 C GLU A 63 41.671 -15.891 -2.002 1.00 0.00 C ATOM 933 O GLU A 63 42.101 -15.499 -3.087 1.00 0.00 O ATOM 934 CB GLU A 63 42.075 -14.167 -0.235 1.00 0.00 C ATOM 935 CG GLU A 63 40.804 -14.091 0.593 1.00 0.00 C ATOM 936 CD GLU A 63 41.062 -13.645 2.019 1.00 0.00 C ATOM 937 OE1 GLU A 63 41.381 -12.454 2.219 1.00 0.00 O ATOM 938 OE2 GLU A 63 40.945 -14.486 2.935 1.00 0.00 O ATOM 0 H GLU A 63 44.280 -15.002 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 63 42.100 -16.297 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.906 -13.780 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.971 -13.518 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.108 -13.398 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.323 -15.069 0.604 1.00 0.00 H new ATOM 945 N TYR A 64 40.552 -16.597 -1.880 1.00 0.00 N ATOM 946 CA TYR A 64 39.748 -16.961 -3.041 1.00 0.00 C ATOM 947 C TYR A 64 38.298 -17.213 -2.641 1.00 0.00 C ATOM 948 O TYR A 64 37.958 -17.208 -1.458 1.00 0.00 O ATOM 949 CB TYR A 64 40.326 -18.206 -3.717 1.00 0.00 C ATOM 950 CG TYR A 64 40.275 -19.444 -2.851 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.136 -20.241 -2.811 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.363 -19.818 -2.073 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.084 -21.373 -2.021 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.320 -20.949 -1.281 1.00 0.00 C ATOM 955 CZ TYR A 64 40.179 -21.723 -1.258 1.00 0.00 C ATOM 956 OH TYR A 64 40.132 -22.850 -0.470 1.00 0.00 O ATOM 0 H TYR A 64 40.181 -16.928 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 64 39.773 -16.129 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 64 39.778 -18.396 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.361 -18.010 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.278 -19.970 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.258 -19.214 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.191 -21.981 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.176 -21.226 -0.683 1.00 0.00 H new ATOM 0 HH TYR A 64 40.984 -22.955 0.002 1.00 0.00 H new ATOM 966 N SER A 65 37.446 -17.434 -3.638 1.00 0.00 N ATOM 967 CA SER A 65 36.031 -17.685 -3.392 1.00 0.00 C ATOM 968 C SER A 65 35.494 -18.748 -4.346 1.00 0.00 C ATOM 969 O SER A 65 36.043 -18.963 -5.427 1.00 0.00 O ATOM 970 CB SER A 65 35.227 -16.392 -3.547 1.00 0.00 C ATOM 971 OG SER A 65 35.682 -15.398 -2.645 1.00 0.00 O ATOM 0 H SER A 65 37.711 -17.444 -4.623 1.00 0.00 H new ATOM 0 HA SER A 65 35.925 -18.051 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.314 -16.026 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.171 -16.593 -3.369 1.00 0.00 H new ATOM 0 HG SER A 65 35.154 -14.581 -2.765 1.00 0.00 H new ATOM 977 N LEU A 66 34.417 -19.410 -3.938 1.00 0.00 N ATOM 978 CA LEU A 66 33.804 -20.451 -4.755 1.00 0.00 C ATOM 979 C LEU A 66 32.511 -19.953 -5.392 1.00 0.00 C ATOM 980 O LEU A 66 31.610 -19.477 -4.701 1.00 0.00 O ATOM 981 CB LEU A 66 33.523 -21.693 -3.907 1.00 0.00 C ATOM 982 CG LEU A 66 34.722 -22.282 -3.163 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.279 -23.418 -2.253 1.00 0.00 C ATOM 984 CD2 LEU A 66 35.776 -22.765 -4.147 1.00 0.00 C ATOM 0 H LEU A 66 33.950 -19.244 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 66 34.502 -20.712 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.754 -21.443 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.108 -22.465 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 66 35.163 -21.499 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.145 -23.825 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.561 -23.042 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.813 -24.202 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.622 -23.181 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.348 -23.533 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.115 -21.928 -4.757 1.00 0.00 H new ATOM 1117 N SER A 75 36.728 -24.673 -8.544 1.00 0.00 N ATOM 1118 CA SER A 75 37.897 -23.831 -8.766 1.00 0.00 C ATOM 1119 C SER A 75 37.738 -22.485 -8.065 1.00 0.00 C ATOM 1120 O SER A 75 36.703 -22.205 -7.462 1.00 0.00 O ATOM 1121 CB SER A 75 38.121 -23.616 -10.264 1.00 0.00 C ATOM 1122 OG SER A 75 36.895 -23.650 -10.973 1.00 0.00 O ATOM 0 HA SER A 75 38.765 -24.339 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.613 -22.657 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.789 -24.386 -10.649 1.00 0.00 H new ATOM 0 HG SER A 75 36.215 -24.101 -10.430 1.00 0.00 H new ATOM 1128 N ALA A 76 38.773 -21.655 -8.151 1.00 0.00 N ATOM 1129 CA ALA A 76 38.749 -20.337 -7.528 1.00 0.00 C ATOM 1130 C ALA A 76 38.609 -19.237 -8.575 1.00 0.00 C ATOM 1131 O ALA A 76 39.179 -19.327 -9.661 1.00 0.00 O ATOM 1132 CB ALA A 76 40.006 -20.122 -6.698 1.00 0.00 C ATOM 0 H ALA A 76 39.638 -21.872 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 76 37.881 -20.289 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 76 39.974 -19.134 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.062 -20.882 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.883 -20.195 -7.341 1.00 0.00 H new ATOM 1138 N GLU A 77 37.847 -18.201 -8.239 1.00 0.00 N ATOM 1139 CA GLU A 77 37.631 -17.085 -9.153 1.00 0.00 C ATOM 1140 C GLU A 77 38.196 -15.791 -8.573 1.00 0.00 C ATOM 1141 O GLU A 77 37.930 -15.444 -7.422 1.00 0.00 O ATOM 1142 CB GLU A 77 36.139 -16.917 -9.445 1.00 0.00 C ATOM 1143 CG GLU A 77 35.290 -16.743 -8.197 1.00 0.00 C ATOM 1144 CD GLU A 77 34.527 -15.432 -8.189 1.00 0.00 C ATOM 1145 OE1 GLU A 77 33.446 -15.372 -8.811 1.00 0.00 O ATOM 1146 OE2 GLU A 77 35.010 -14.468 -7.561 1.00 0.00 O ATOM 0 H GLU A 77 37.370 -18.111 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 77 38.153 -17.305 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 77 35.999 -16.051 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 77 35.785 -17.788 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 34.584 -17.570 -8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.931 -16.792 -7.316 1.00 0.00 H new ATOM 1153 N LYS A 78 38.978 -15.081 -9.379 1.00 0.00 N ATOM 1154 CA LYS A 78 39.581 -13.825 -8.949 1.00 0.00 C ATOM 1155 C LYS A 78 40.444 -14.032 -7.708 1.00 0.00 C ATOM 1156 O LYS A 78 40.163 -13.478 -6.645 1.00 0.00 O ATOM 1157 CB LYS A 78 38.495 -12.786 -8.661 1.00 0.00 C ATOM 1158 CG LYS A 78 37.724 -12.354 -9.896 1.00 0.00 C ATOM 1159 CD LYS A 78 38.365 -11.147 -10.560 1.00 0.00 C ATOM 1160 CE LYS A 78 37.628 -9.863 -10.213 1.00 0.00 C ATOM 1161 NZ LYS A 78 38.193 -8.687 -10.931 1.00 0.00 N ATOM 0 H LYS A 78 39.209 -15.354 -10.334 1.00 0.00 H new ATOM 0 HA LYS A 78 40.218 -13.462 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.796 -13.196 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.955 -11.909 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 78 37.680 -13.180 -10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.697 -12.116 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 78 39.405 -11.067 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 78 38.369 -11.285 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 78 36.573 -9.970 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 78 37.682 -9.692 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 37.663 -7.832 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 39.193 -8.569 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 38.118 -8.838 -11.957 1.00 0.00 H new ATOM 1175 N VAL A 79 41.495 -14.833 -7.850 1.00 0.00 N ATOM 1176 CA VAL A 79 42.400 -15.111 -6.741 1.00 0.00 C ATOM 1177 C VAL A 79 43.341 -13.938 -6.493 1.00 0.00 C ATOM 1178 O VAL A 79 43.793 -13.282 -7.430 1.00 0.00 O ATOM 1179 CB VAL A 79 43.235 -16.379 -7.003 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.115 -16.695 -5.803 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.328 -17.554 -7.334 1.00 0.00 C ATOM 0 H VAL A 79 41.741 -15.301 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 79 41.781 -15.269 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 79 43.883 -16.197 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.698 -17.594 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.790 -15.859 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.489 -16.859 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.934 -18.441 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.654 -17.740 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.745 -17.324 -8.226 1.00 0.00 H new ATOM 1191 N ASN A 80 43.634 -13.680 -5.222 1.00 0.00 N ATOM 1192 CA ASN A 80 44.522 -12.585 -4.849 1.00 0.00 C ATOM 1193 C ASN A 80 45.216 -12.875 -3.522 1.00 0.00 C ATOM 1194 O ASN A 80 44.594 -13.358 -2.576 1.00 0.00 O ATOM 1195 CB ASN A 80 43.738 -11.275 -4.752 1.00 0.00 C ATOM 1196 CG ASN A 80 42.746 -11.278 -3.605 1.00 0.00 C ATOM 1197 OD1 ASN A 80 41.703 -11.928 -3.674 1.00 0.00 O ATOM 1198 ND2 ASN A 80 43.069 -10.551 -2.542 1.00 0.00 N ATOM 0 H ASN A 80 43.269 -14.214 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 80 45.283 -12.488 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.435 -10.447 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.206 -11.103 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 80 42.442 -10.516 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 80 43.945 -10.028 -2.529 1.00 0.00 H new ATOM 1205 N LYS A 81 46.509 -12.577 -3.459 1.00 0.00 N ATOM 1206 CA LYS A 81 47.289 -12.803 -2.248 1.00 0.00 C ATOM 1207 C LYS A 81 46.624 -12.146 -1.042 1.00 0.00 C ATOM 1208 O LYS A 81 45.728 -11.315 -1.190 1.00 0.00 O ATOM 1209 CB LYS A 81 48.708 -12.257 -2.421 1.00 0.00 C ATOM 1210 CG LYS A 81 49.792 -13.295 -2.186 1.00 0.00 C ATOM 1211 CD LYS A 81 50.943 -12.726 -1.373 1.00 0.00 C ATOM 1212 CE LYS A 81 50.549 -12.517 0.081 1.00 0.00 C ATOM 1213 NZ LYS A 81 51.734 -12.259 0.945 1.00 0.00 N ATOM 0 H LYS A 81 47.040 -12.178 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 81 47.339 -13.878 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.813 -11.856 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 81 48.856 -11.427 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.368 -14.154 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 81 50.166 -13.655 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.796 -13.402 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.261 -11.777 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 81 49.857 -11.677 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 81 50.020 -13.398 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 51.424 -12.122 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.382 -13.071 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 52.225 -11.404 0.615 1.00 0.00 H new ATOM 1227 N THR A 82 47.070 -12.524 0.152 1.00 0.00 N ATOM 1228 CA THR A 82 46.518 -11.972 1.383 1.00 0.00 C ATOM 1229 C THR A 82 47.520 -12.073 2.528 1.00 0.00 C ATOM 1230 O THR A 82 48.203 -13.085 2.680 1.00 0.00 O ATOM 1231 CB THR A 82 45.218 -12.691 1.789 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.676 -12.093 2.972 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.472 -14.171 2.032 1.00 0.00 C ATOM 0 H THR A 82 47.812 -13.210 0.293 1.00 0.00 H new ATOM 0 HA THR A 82 46.297 -10.923 1.187 1.00 0.00 H new ATOM 0 HB THR A 82 44.503 -12.591 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.849 -12.555 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.540 -14.658 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.856 -14.629 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.202 -14.288 2.832 1.00 0.00 H new