USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 55 GLN : amide:sc= -0.524 K(o=0.56,f=-6.7!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -142:sc= 1.08 (180deg=-0.0155) USER MOD Single : A 18 ASN : amide:sc= -0.306 K(o=-0.31,f=-9.5!) USER MOD Single : A 21 MET CE :methyl 169:sc= -1.22 (180deg=-1.53) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= 0.943 (180deg=-1.68) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.343) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -173:sc= -0.394 (180deg=-0.549) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.07) USER MOD Single : A 58 GLN : amide:sc= 0.779 K(o=0.78,f=-0.55) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.92) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.161) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.306 9.719 2.725 1.00 63.03 N ATOM 284 CA ASN A 18 -6.483 8.546 3.079 1.00 24.45 C ATOM 285 C ASN A 18 -6.074 7.759 1.812 1.00 10.13 C ATOM 286 O ASN A 18 -6.930 7.272 1.073 1.00 50.52 O ATOM 287 CB ASN A 18 -7.230 7.632 4.074 1.00 50.42 C ATOM 288 CG ASN A 18 -6.412 6.428 4.529 1.00 14.30 C ATOM 289 OD1 ASN A 18 -5.572 5.912 3.804 1.00 12.04 O ATOM 290 ND2 ASN A 18 -6.659 5.962 5.734 1.00 31.53 N ATOM 0 HA ASN A 18 -5.575 8.904 3.564 1.00 24.45 H new ATOM 0 HB2 ASN A 18 -7.516 8.217 4.948 1.00 50.42 H new ATOM 0 HB3 ASN A 18 -8.152 7.280 3.610 1.00 50.42 H new ATOM 0 HD21 ASN A 18 -6.145 5.153 6.083 1.00 31.53 H new ATOM 0 HD22 ASN A 18 -7.364 6.410 6.319 1.00 31.53 H new ATOM 297 N PRO A 19 -4.757 7.605 1.556 1.00 43.14 N ATOM 298 CA PRO A 19 -4.256 6.927 0.345 1.00 64.40 C ATOM 299 C PRO A 19 -4.875 5.534 0.129 1.00 53.12 C ATOM 300 O PRO A 19 -5.134 5.135 -1.004 1.00 62.20 O ATOM 301 CB PRO A 19 -2.737 6.822 0.581 1.00 53.12 C ATOM 302 CG PRO A 19 -2.536 7.128 2.029 1.00 44.02 C ATOM 303 CD PRO A 19 -3.655 8.053 2.418 1.00 52.52 C ATOM 0 HA PRO A 19 -4.520 7.482 -0.555 1.00 64.40 H new ATOM 0 HB2 PRO A 19 -2.370 5.825 0.336 1.00 53.12 H new ATOM 0 HB3 PRO A 19 -2.192 7.526 -0.048 1.00 53.12 H new ATOM 0 HG2 PRO A 19 -2.558 6.217 2.627 1.00 44.02 H new ATOM 0 HG3 PRO A 19 -1.566 7.597 2.198 1.00 44.02 H new ATOM 0 HD2 PRO A 19 -3.905 7.964 3.475 1.00 52.52 H new ATOM 0 HD3 PRO A 19 -3.399 9.097 2.238 1.00 52.52 H new ATOM 311 N VAL A 20 -5.117 4.801 1.219 1.00 15.54 N ATOM 312 CA VAL A 20 -5.727 3.468 1.134 1.00 32.13 C ATOM 313 C VAL A 20 -7.160 3.543 0.584 1.00 41.04 C ATOM 314 O VAL A 20 -7.505 2.855 -0.377 1.00 24.41 O ATOM 315 CB VAL A 20 -5.757 2.762 2.517 1.00 51.11 C ATOM 316 CG1 VAL A 20 -6.394 1.373 2.411 1.00 4.01 C ATOM 317 CG2 VAL A 20 -4.351 2.670 3.109 1.00 51.10 C ATOM 0 H VAL A 20 -4.901 5.105 2.168 1.00 15.54 H new ATOM 0 HA VAL A 20 -5.107 2.887 0.451 1.00 32.13 H new ATOM 0 HB VAL A 20 -6.371 3.363 3.188 1.00 51.11 H new ATOM 0 HG11 VAL A 20 -6.402 0.901 3.393 1.00 4.01 H new ATOM 0 HG12 VAL A 20 -7.416 1.469 2.046 1.00 4.01 H new ATOM 0 HG13 VAL A 20 -5.817 0.760 1.719 1.00 4.01 H new ATOM 0 HG21 VAL A 20 -4.396 2.172 4.078 1.00 51.10 H new ATOM 0 HG22 VAL A 20 -3.710 2.099 2.437 1.00 51.10 H new ATOM 0 HG23 VAL A 20 -3.943 3.673 3.235 1.00 51.10 H new ATOM 327 N MET A 21 -7.987 4.395 1.189 1.00 14.25 N ATOM 328 CA MET A 21 -9.398 4.500 0.798 1.00 12.12 C ATOM 329 C MET A 21 -9.560 5.132 -0.595 1.00 22.14 C ATOM 330 O MET A 21 -10.499 4.806 -1.323 1.00 53.33 O ATOM 331 CB MET A 21 -10.205 5.288 1.839 1.00 22.25 C ATOM 332 CG MET A 21 -10.154 4.690 3.240 1.00 1.11 C ATOM 333 SD MET A 21 -11.342 5.447 4.372 1.00 31.32 S ATOM 334 CE MET A 21 -10.808 7.158 4.353 1.00 13.33 C ATOM 0 H MET A 21 -7.710 5.019 1.946 1.00 14.25 H new ATOM 0 HA MET A 21 -9.791 3.484 0.752 1.00 12.12 H new ATOM 0 HB2 MET A 21 -9.830 6.311 1.877 1.00 22.25 H new ATOM 0 HB3 MET A 21 -11.244 5.341 1.515 1.00 22.25 H new ATOM 0 HG2 MET A 21 -10.349 3.619 3.180 1.00 1.11 H new ATOM 0 HG3 MET A 21 -9.149 4.809 3.644 1.00 1.11 H new ATOM 0 HE1 MET A 21 -11.557 7.778 4.845 1.00 13.33 H new ATOM 0 HE2 MET A 21 -9.858 7.249 4.880 1.00 13.33 H new ATOM 0 HE3 MET A 21 -10.684 7.489 3.322 1.00 13.33 H new ATOM 344 N GLU A 22 -8.650 6.035 -0.962 1.00 42.11 N ATOM 345 CA GLU A 22 -8.643 6.594 -2.320 1.00 62.15 C ATOM 346 C GLU A 22 -8.221 5.535 -3.347 1.00 41.20 C ATOM 347 O GLU A 22 -8.897 5.323 -4.357 1.00 4.00 O ATOM 348 CB GLU A 22 -7.702 7.798 -2.427 1.00 75.52 C ATOM 349 CG GLU A 22 -7.637 8.355 -3.845 1.00 21.02 C ATOM 350 CD GLU A 22 -6.668 9.510 -4.020 1.00 33.31 C ATOM 351 OE1 GLU A 22 -6.368 10.204 -3.031 1.00 32.51 O ATOM 352 OE2 GLU A 22 -6.216 9.726 -5.169 1.00 44.10 O ATOM 0 H GLU A 22 -7.917 6.393 -0.350 1.00 42.11 H new ATOM 0 HA GLU A 22 -9.660 6.922 -2.533 1.00 62.15 H new ATOM 0 HB2 GLU A 22 -8.037 8.580 -1.746 1.00 75.52 H new ATOM 0 HB3 GLU A 22 -6.702 7.505 -2.108 1.00 75.52 H new ATOM 0 HG2 GLU A 22 -7.353 7.552 -4.525 1.00 21.02 H new ATOM 0 HG3 GLU A 22 -8.633 8.685 -4.139 1.00 21.02 H new ATOM 359 N LEU A 23 -7.090 4.885 -3.089 1.00 50.33 N ATOM 360 CA LEU A 23 -6.601 3.796 -3.943 1.00 43.12 C ATOM 361 C LEU A 23 -7.676 2.710 -4.106 1.00 24.23 C ATOM 362 O LEU A 23 -7.800 2.093 -5.163 1.00 72.34 O ATOM 363 CB LEU A 23 -5.328 3.196 -3.335 1.00 23.51 C ATOM 364 CG LEU A 23 -4.641 2.094 -4.155 1.00 41.44 C ATOM 365 CD1 LEU A 23 -4.193 2.621 -5.514 1.00 14.34 C ATOM 366 CD2 LEU A 23 -3.457 1.517 -3.384 1.00 35.02 C ATOM 0 H LEU A 23 -6.489 5.092 -2.292 1.00 50.33 H new ATOM 0 HA LEU A 23 -6.372 4.199 -4.930 1.00 43.12 H new ATOM 0 HB2 LEU A 23 -4.612 4.002 -3.175 1.00 23.51 H new ATOM 0 HB3 LEU A 23 -5.575 2.790 -2.354 1.00 23.51 H new ATOM 0 HG LEU A 23 -5.365 1.297 -4.327 1.00 41.44 H new ATOM 0 HD11 LEU A 23 -3.710 1.820 -6.074 1.00 14.34 H new ATOM 0 HD12 LEU A 23 -5.060 2.980 -6.069 1.00 14.34 H new ATOM 0 HD13 LEU A 23 -3.489 3.441 -5.372 1.00 14.34 H new ATOM 0 HD21 LEU A 23 -2.981 0.737 -3.979 1.00 35.02 H new ATOM 0 HD22 LEU A 23 -2.736 2.308 -3.179 1.00 35.02 H new ATOM 0 HD23 LEU A 23 -3.807 1.093 -2.443 1.00 35.02 H new ATOM 378 N ASN A 24 -8.456 2.508 -3.044 1.00 2.13 N ATOM 379 CA ASN A 24 -9.586 1.569 -3.049 1.00 34.21 C ATOM 380 C ASN A 24 -10.614 1.935 -4.139 1.00 64.10 C ATOM 381 O ASN A 24 -11.278 1.067 -4.706 1.00 22.45 O ATOM 382 CB ASN A 24 -10.263 1.588 -1.670 1.00 30.22 C ATOM 383 CG ASN A 24 -11.010 0.305 -1.347 1.00 31.21 C ATOM 384 OD1 ASN A 24 -12.174 0.131 -1.698 1.00 25.34 O ATOM 385 ND2 ASN A 24 -10.346 -0.592 -0.647 1.00 33.24 N ATOM 0 H ASN A 24 -8.325 2.989 -2.154 1.00 2.13 H new ATOM 0 HA ASN A 24 -9.206 0.571 -3.267 1.00 34.21 H new ATOM 0 HB2 ASN A 24 -9.507 1.762 -0.905 1.00 30.22 H new ATOM 0 HB3 ASN A 24 -10.959 2.426 -1.627 1.00 30.22 H new ATOM 0 HD21 ASN A 24 -10.798 -1.466 -0.379 1.00 33.24 H new ATOM 0 HD22 ASN A 24 -9.380 -0.412 -0.373 1.00 33.24 H new ATOM 392 N GLU A 25 -10.743 3.236 -4.409 1.00 74.42 N ATOM 393 CA GLU A 25 -11.661 3.738 -5.443 1.00 34.52 C ATOM 394 C GLU A 25 -10.957 3.870 -6.805 1.00 24.01 C ATOM 395 O GLU A 25 -11.602 3.889 -7.851 1.00 22.20 O ATOM 396 CB GLU A 25 -12.235 5.103 -5.027 1.00 0.33 C ATOM 397 CG GLU A 25 -12.921 5.099 -3.665 1.00 4.34 C ATOM 398 CD GLU A 25 -13.543 6.444 -3.316 1.00 12.13 C ATOM 399 OE1 GLU A 25 -12.797 7.439 -3.183 1.00 63.13 O ATOM 400 OE2 GLU A 25 -14.783 6.517 -3.186 1.00 20.52 O ATOM 0 H GLU A 25 -10.222 3.967 -3.925 1.00 74.42 H new ATOM 0 HA GLU A 25 -12.471 3.015 -5.544 1.00 34.52 H new ATOM 0 HB2 GLU A 25 -11.428 5.836 -5.014 1.00 0.33 H new ATOM 0 HB3 GLU A 25 -12.950 5.430 -5.782 1.00 0.33 H new ATOM 0 HG2 GLU A 25 -13.695 4.332 -3.655 1.00 4.34 H new ATOM 0 HG3 GLU A 25 -12.195 4.829 -2.898 1.00 4.34 H new ATOM 407 N LYS A 26 -9.630 3.983 -6.782 1.00 64.24 N ATOM 408 CA LYS A 26 -8.838 4.082 -8.016 1.00 44.23 C ATOM 409 C LYS A 26 -8.650 2.704 -8.680 1.00 53.43 C ATOM 410 O LYS A 26 -8.610 2.598 -9.905 1.00 41.34 O ATOM 411 CB LYS A 26 -7.467 4.721 -7.724 1.00 63.44 C ATOM 412 CG LYS A 26 -7.514 6.204 -7.343 1.00 34.21 C ATOM 413 CD LYS A 26 -8.184 7.055 -8.425 1.00 63.31 C ATOM 414 CE LYS A 26 -7.935 8.552 -8.225 1.00 34.21 C ATOM 415 NZ LYS A 26 -8.307 9.015 -6.862 1.00 53.34 N ATOM 0 H LYS A 26 -9.077 4.009 -5.925 1.00 64.24 H new ATOM 0 HA LYS A 26 -9.387 4.717 -8.711 1.00 44.23 H new ATOM 0 HB2 LYS A 26 -6.990 4.168 -6.915 1.00 63.44 H new ATOM 0 HB3 LYS A 26 -6.835 4.607 -8.604 1.00 63.44 H new ATOM 0 HG2 LYS A 26 -8.056 6.320 -6.404 1.00 34.21 H new ATOM 0 HG3 LYS A 26 -6.500 6.567 -7.173 1.00 34.21 H new ATOM 0 HD2 LYS A 26 -7.810 6.754 -9.404 1.00 63.31 H new ATOM 0 HD3 LYS A 26 -9.257 6.864 -8.421 1.00 63.31 H new ATOM 0 HE2 LYS A 26 -6.882 8.769 -8.404 1.00 34.21 H new ATOM 0 HE3 LYS A 26 -8.506 9.114 -8.964 1.00 34.21 H new ATOM 0 HZ1 LYS A 26 -8.871 9.886 -6.933 1.00 53.34 H new ATOM 0 HZ2 LYS A 26 -8.866 8.278 -6.386 1.00 53.34 H new ATOM 0 HZ3 LYS A 26 -7.445 9.205 -6.313 1.00 53.34 H new ATOM 429 N ARG A 27 -8.518 1.655 -7.863 1.00 10.33 N ATOM 430 CA ARG A 27 -8.373 0.275 -8.360 1.00 51.23 C ATOM 431 C ARG A 27 -9.145 -0.714 -7.467 1.00 50.11 C ATOM 432 O ARG A 27 -8.882 -0.819 -6.269 1.00 61.12 O ATOM 433 CB ARG A 27 -6.890 -0.134 -8.408 1.00 60.04 C ATOM 434 CG ARG A 27 -6.036 0.668 -9.388 1.00 53.50 C ATOM 435 CD ARG A 27 -6.412 0.402 -10.843 1.00 42.54 C ATOM 436 NE ARG A 27 -5.519 1.101 -11.770 1.00 24.03 N ATOM 437 CZ ARG A 27 -5.718 1.186 -13.058 1.00 72.32 C ATOM 438 NH1 ARG A 27 -6.743 0.620 -13.607 1.00 42.41 N ATOM 439 NH2 ARG A 27 -4.879 1.835 -13.800 1.00 71.11 N ATOM 0 H ARG A 27 -8.508 1.732 -6.846 1.00 10.33 H new ATOM 0 HA ARG A 27 -8.787 0.243 -9.368 1.00 51.23 H new ATOM 0 HB2 ARG A 27 -6.466 -0.030 -7.409 1.00 60.04 H new ATOM 0 HB3 ARG A 27 -6.827 -1.190 -8.672 1.00 60.04 H new ATOM 0 HG2 ARG A 27 -6.147 1.731 -9.176 1.00 53.50 H new ATOM 0 HG3 ARG A 27 -4.985 0.421 -9.236 1.00 53.50 H new ATOM 0 HD2 ARG A 27 -6.373 -0.670 -11.039 1.00 42.54 H new ATOM 0 HD3 ARG A 27 -7.440 0.721 -11.017 1.00 42.54 H new ATOM 0 HE ARG A 27 -4.688 1.550 -11.385 1.00 24.03 H new ATOM 0 HH11 ARG A 27 -7.407 0.100 -13.033 1.00 42.41 H new ATOM 0 HH12 ARG A 27 -6.888 0.693 -14.614 1.00 42.41 H new ATOM 0 HH21 ARG A 27 -4.063 2.279 -13.379 1.00 71.11 H new ATOM 0 HH22 ARG A 27 -5.034 1.902 -14.806 1.00 71.11 H new ATOM 453 N ARG A 28 -10.094 -1.443 -8.055 1.00 20.11 N ATOM 454 CA ARG A 28 -10.910 -2.410 -7.303 1.00 61.13 C ATOM 455 C ARG A 28 -10.298 -3.823 -7.342 1.00 64.23 C ATOM 456 O ARG A 28 -10.047 -4.379 -8.413 1.00 55.44 O ATOM 457 CB ARG A 28 -12.347 -2.444 -7.856 1.00 50.12 C ATOM 458 CG ARG A 28 -13.104 -1.118 -7.734 1.00 60.22 C ATOM 459 CD ARG A 28 -12.685 -0.096 -8.792 1.00 74.11 C ATOM 460 NE ARG A 28 -13.340 1.196 -8.587 1.00 73.24 N ATOM 461 CZ ARG A 28 -13.471 2.118 -9.503 1.00 71.25 C ATOM 462 NH1 ARG A 28 -13.065 1.918 -10.716 1.00 4.32 N ATOM 463 NH2 ARG A 28 -14.031 3.244 -9.206 1.00 62.21 N ATOM 0 H ARG A 28 -10.320 -1.386 -9.048 1.00 20.11 H new ATOM 0 HA ARG A 28 -10.932 -2.082 -6.264 1.00 61.13 H new ATOM 0 HB2 ARG A 28 -12.312 -2.733 -8.906 1.00 50.12 H new ATOM 0 HB3 ARG A 28 -12.907 -3.218 -7.331 1.00 50.12 H new ATOM 0 HG2 ARG A 28 -14.174 -1.307 -7.821 1.00 60.22 H new ATOM 0 HG3 ARG A 28 -12.934 -0.698 -6.743 1.00 60.22 H new ATOM 0 HD2 ARG A 28 -11.603 0.036 -8.762 1.00 74.11 H new ATOM 0 HD3 ARG A 28 -12.933 -0.476 -9.783 1.00 74.11 H new ATOM 0 HE ARG A 28 -13.722 1.391 -7.662 1.00 73.24 H new ATOM 0 HH11 ARG A 28 -12.635 1.029 -10.970 1.00 4.32 H new ATOM 0 HH12 ARG A 28 -13.176 2.650 -11.418 1.00 4.32 H new ATOM 0 HH21 ARG A 28 -14.369 3.411 -8.258 1.00 62.21 H new ATOM 0 HH22 ARG A 28 -14.135 3.966 -9.919 1.00 62.21 H new ATOM 477 N GLY A 29 -10.074 -4.408 -6.165 1.00 4.21 N ATOM 478 CA GLY A 29 -9.454 -5.729 -6.079 1.00 71.44 C ATOM 479 C GLY A 29 -7.980 -5.653 -5.692 1.00 45.54 C ATOM 480 O GLY A 29 -7.099 -6.011 -6.477 1.00 23.44 O ATOM 0 H GLY A 29 -10.311 -3.991 -5.265 1.00 4.21 H new ATOM 0 HA2 GLY A 29 -9.989 -6.332 -5.346 1.00 71.44 H new ATOM 0 HA3 GLY A 29 -9.550 -6.236 -7.039 1.00 71.44 H new ATOM 484 N LEU A 30 -7.710 -5.170 -4.481 1.00 55.41 N ATOM 485 CA LEU A 30 -6.331 -4.971 -4.012 1.00 53.32 C ATOM 486 C LEU A 30 -5.908 -6.017 -2.964 1.00 24.22 C ATOM 487 O LEU A 30 -6.739 -6.640 -2.299 1.00 43.34 O ATOM 488 CB LEU A 30 -6.181 -3.565 -3.415 1.00 30.23 C ATOM 489 CG LEU A 30 -6.637 -2.411 -4.323 1.00 62.54 C ATOM 490 CD1 LEU A 30 -6.468 -1.067 -3.617 1.00 50.23 C ATOM 491 CD2 LEU A 30 -5.873 -2.429 -5.646 1.00 22.23 C ATOM 0 H LEU A 30 -8.425 -4.908 -3.803 1.00 55.41 H new ATOM 0 HA LEU A 30 -5.679 -5.088 -4.877 1.00 53.32 H new ATOM 0 HB2 LEU A 30 -6.750 -3.521 -2.486 1.00 30.23 H new ATOM 0 HB3 LEU A 30 -5.134 -3.409 -3.155 1.00 30.23 H new ATOM 0 HG LEU A 30 -7.696 -2.548 -4.541 1.00 62.54 H new ATOM 0 HD11 LEU A 30 -6.797 -0.265 -4.278 1.00 50.23 H new ATOM 0 HD12 LEU A 30 -7.068 -1.056 -2.707 1.00 50.23 H new ATOM 0 HD13 LEU A 30 -5.419 -0.920 -3.362 1.00 50.23 H new ATOM 0 HD21 LEU A 30 -6.212 -1.604 -6.273 1.00 22.23 H new ATOM 0 HD22 LEU A 30 -4.806 -2.323 -5.451 1.00 22.23 H new ATOM 0 HD23 LEU A 30 -6.056 -3.373 -6.159 1.00 22.23 H new ATOM 503 N LYS A 31 -4.598 -6.173 -2.820 1.00 42.51 N ATOM 504 CA LYS A 31 -3.998 -7.075 -1.829 1.00 71.33 C ATOM 505 C LYS A 31 -3.245 -6.272 -0.761 1.00 73.35 C ATOM 506 O LYS A 31 -2.433 -5.422 -1.096 1.00 12.13 O ATOM 507 CB LYS A 31 -3.023 -8.036 -2.532 1.00 22.42 C ATOM 508 CG LYS A 31 -1.947 -8.624 -1.616 1.00 3.13 C ATOM 509 CD LYS A 31 -0.885 -9.390 -2.404 1.00 64.30 C ATOM 510 CE LYS A 31 -1.422 -10.704 -2.956 1.00 0.12 C ATOM 511 NZ LYS A 31 -1.811 -11.633 -1.862 1.00 32.54 N ATOM 0 H LYS A 31 -3.912 -5.676 -3.389 1.00 42.51 H new ATOM 0 HA LYS A 31 -4.792 -7.645 -1.346 1.00 71.33 H new ATOM 0 HB2 LYS A 31 -3.593 -8.853 -2.975 1.00 22.42 H new ATOM 0 HB3 LYS A 31 -2.536 -7.506 -3.351 1.00 22.42 H new ATOM 0 HG2 LYS A 31 -1.472 -7.821 -1.052 1.00 3.13 H new ATOM 0 HG3 LYS A 31 -2.413 -9.291 -0.891 1.00 3.13 H new ATOM 0 HD2 LYS A 31 -0.527 -8.771 -3.226 1.00 64.30 H new ATOM 0 HD3 LYS A 31 -0.029 -9.590 -1.759 1.00 64.30 H new ATOM 0 HE2 LYS A 31 -2.285 -10.508 -3.593 1.00 0.12 H new ATOM 0 HE3 LYS A 31 -0.664 -11.174 -3.582 1.00 0.12 H new ATOM 0 HZ1 LYS A 31 -1.780 -12.612 -2.211 1.00 32.54 H new ATOM 0 HZ2 LYS A 31 -1.150 -11.528 -1.066 1.00 32.54 H new ATOM 0 HZ3 LYS A 31 -2.775 -11.409 -1.543 1.00 32.54 H new ATOM 525 N TYR A 32 -3.531 -6.526 0.514 1.00 35.33 N ATOM 526 CA TYR A 32 -2.793 -5.892 1.619 1.00 53.54 C ATOM 527 C TYR A 32 -2.245 -6.938 2.608 1.00 13.20 C ATOM 528 O TYR A 32 -2.993 -7.492 3.416 1.00 41.31 O ATOM 529 CB TYR A 32 -3.693 -4.897 2.369 1.00 71.44 C ATOM 530 CG TYR A 32 -4.101 -3.672 1.563 1.00 44.40 C ATOM 531 CD1 TYR A 32 -5.264 -3.669 0.800 1.00 74.40 C ATOM 532 CD2 TYR A 32 -3.331 -2.512 1.585 1.00 4.05 C ATOM 533 CE1 TYR A 32 -5.647 -2.549 0.084 1.00 0.40 C ATOM 534 CE2 TYR A 32 -3.710 -1.388 0.876 1.00 14.15 C ATOM 535 CZ TYR A 32 -4.868 -1.413 0.124 1.00 41.14 C ATOM 536 OH TYR A 32 -5.252 -0.293 -0.578 1.00 20.33 O ATOM 0 H TYR A 32 -4.267 -7.165 0.814 1.00 35.33 H new ATOM 0 HA TYR A 32 -1.949 -5.358 1.181 1.00 53.54 H new ATOM 0 HB2 TYR A 32 -4.594 -5.417 2.694 1.00 71.44 H new ATOM 0 HB3 TYR A 32 -3.174 -4.566 3.269 1.00 71.44 H new ATOM 0 HD1 TYR A 32 -5.879 -4.556 0.766 1.00 74.40 H new ATOM 0 HD2 TYR A 32 -2.421 -2.490 2.167 1.00 4.05 H new ATOM 0 HE1 TYR A 32 -6.553 -2.565 -0.504 1.00 0.40 H new ATOM 0 HE2 TYR A 32 -3.104 -0.495 0.910 1.00 14.15 H new ATOM 0 HH TYR A 32 -4.593 0.420 -0.442 1.00 20.33 H new ATOM 546 N GLU A 33 -0.938 -7.202 2.553 1.00 63.01 N ATOM 547 CA GLU A 33 -0.303 -8.156 3.477 1.00 43.14 C ATOM 548 C GLU A 33 0.998 -7.592 4.074 1.00 34.34 C ATOM 549 O GLU A 33 1.517 -6.573 3.619 1.00 20.12 O ATOM 550 CB GLU A 33 -0.033 -9.496 2.775 1.00 74.13 C ATOM 551 CG GLU A 33 0.891 -9.392 1.571 1.00 72.21 C ATOM 552 CD GLU A 33 1.065 -10.724 0.855 1.00 22.14 C ATOM 553 OE1 GLU A 33 0.123 -11.161 0.158 1.00 13.32 O ATOM 554 OE2 GLU A 33 2.142 -11.342 0.985 1.00 31.43 O ATOM 0 H GLU A 33 -0.298 -6.774 1.884 1.00 63.01 H new ATOM 0 HA GLU A 33 -0.999 -8.324 4.299 1.00 43.14 H new ATOM 0 HB2 GLU A 33 0.402 -10.189 3.495 1.00 74.13 H new ATOM 0 HB3 GLU A 33 -0.983 -9.924 2.454 1.00 74.13 H new ATOM 0 HG2 GLU A 33 0.491 -8.657 0.872 1.00 72.21 H new ATOM 0 HG3 GLU A 33 1.866 -9.027 1.895 1.00 72.21 H new ATOM 561 N LEU A 34 1.516 -8.267 5.099 1.00 4.41 N ATOM 562 CA LEU A 34 2.700 -7.794 5.836 1.00 54.22 C ATOM 563 C LEU A 34 3.989 -8.433 5.299 1.00 61.04 C ATOM 564 O LEU A 34 4.029 -9.629 4.993 1.00 71.00 O ATOM 565 CB LEU A 34 2.545 -8.097 7.336 1.00 74.21 C ATOM 566 CG LEU A 34 3.715 -7.643 8.237 1.00 65.21 C ATOM 567 CD1 LEU A 34 3.922 -6.132 8.151 1.00 61.34 C ATOM 568 CD2 LEU A 34 3.480 -8.070 9.685 1.00 32.33 C ATOM 0 H LEU A 34 1.136 -9.149 5.444 1.00 4.41 H new ATOM 0 HA LEU A 34 2.775 -6.716 5.692 1.00 54.22 H new ATOM 0 HB2 LEU A 34 1.631 -7.621 7.691 1.00 74.21 H new ATOM 0 HB3 LEU A 34 2.412 -9.172 7.459 1.00 74.21 H new ATOM 0 HG LEU A 34 4.622 -8.129 7.877 1.00 65.21 H new ATOM 0 HD11 LEU A 34 4.752 -5.841 8.795 1.00 61.34 H new ATOM 0 HD12 LEU A 34 4.147 -5.854 7.121 1.00 61.34 H new ATOM 0 HD13 LEU A 34 3.015 -5.621 8.475 1.00 61.34 H new ATOM 0 HD21 LEU A 34 4.316 -7.740 10.302 1.00 32.33 H new ATOM 0 HD22 LEU A 34 2.558 -7.619 10.052 1.00 32.33 H new ATOM 0 HD23 LEU A 34 3.398 -9.156 9.735 1.00 32.33 H new ATOM 580 N ILE A 35 5.044 -7.626 5.191 1.00 44.12 N ATOM 581 CA ILE A 35 6.334 -8.086 4.661 1.00 21.25 C ATOM 582 C ILE A 35 7.411 -8.133 5.752 1.00 21.03 C ATOM 583 O ILE A 35 7.982 -9.188 6.033 1.00 64.02 O ATOM 584 CB ILE A 35 6.829 -7.166 3.514 1.00 4.21 C ATOM 585 CG1 ILE A 35 5.748 -7.027 2.435 1.00 41.42 C ATOM 586 CG2 ILE A 35 8.130 -7.700 2.909 1.00 1.22 C ATOM 587 CD1 ILE A 35 5.323 -8.346 1.814 1.00 22.51 C ATOM 0 H ILE A 35 5.033 -6.643 5.465 1.00 44.12 H new ATOM 0 HA ILE A 35 6.170 -9.093 4.278 1.00 21.25 H new ATOM 0 HB ILE A 35 7.031 -6.179 3.931 1.00 4.21 H new ATOM 0 HG12 ILE A 35 4.874 -6.544 2.871 1.00 41.42 H new ATOM 0 HG13 ILE A 35 6.117 -6.369 1.648 1.00 41.42 H new ATOM 0 HG21 ILE A 35 8.457 -7.038 2.107 1.00 1.22 H new ATOM 0 HG22 ILE A 35 8.899 -7.743 3.680 1.00 1.22 H new ATOM 0 HG23 ILE A 35 7.962 -8.700 2.508 1.00 1.22 H new ATOM 0 HD11 ILE A 35 4.556 -8.163 1.061 1.00 22.51 H new ATOM 0 HD12 ILE A 35 6.185 -8.822 1.347 1.00 22.51 H new ATOM 0 HD13 ILE A 35 4.922 -9.000 2.588 1.00 22.51 H new ATOM 599 N SER A 36 7.691 -6.988 6.367 1.00 42.12 N ATOM 600 CA SER A 36 8.763 -6.890 7.371 1.00 71.41 C ATOM 601 C SER A 36 8.299 -6.114 8.606 1.00 72.42 C ATOM 602 O SER A 36 7.401 -5.277 8.517 1.00 13.50 O ATOM 603 CB SER A 36 9.999 -6.211 6.766 1.00 40.02 C ATOM 604 OG SER A 36 11.065 -6.121 7.706 1.00 32.42 O ATOM 0 H SER A 36 7.196 -6.113 6.193 1.00 42.12 H new ATOM 0 HA SER A 36 9.022 -7.903 7.680 1.00 71.41 H new ATOM 0 HB2 SER A 36 10.331 -6.772 5.892 1.00 40.02 H new ATOM 0 HB3 SER A 36 9.733 -5.212 6.421 1.00 40.02 H new ATOM 0 HG SER A 36 11.836 -5.685 7.286 1.00 32.42 H new ATOM 740 N PHE A 46 7.027 -1.160 10.664 1.00 22.32 N ATOM 741 CA PHE A 46 6.202 -2.123 9.920 1.00 52.33 C ATOM 742 C PHE A 46 6.241 -1.836 8.412 1.00 35.03 C ATOM 743 O PHE A 46 6.104 -0.690 7.986 1.00 30.54 O ATOM 744 CB PHE A 46 4.748 -2.096 10.417 1.00 51.03 C ATOM 745 CG PHE A 46 4.554 -2.733 11.771 1.00 54.31 C ATOM 746 CD1 PHE A 46 4.351 -4.102 11.884 1.00 63.11 C ATOM 747 CD2 PHE A 46 4.575 -1.967 12.927 1.00 75.41 C ATOM 748 CE1 PHE A 46 4.172 -4.691 13.121 1.00 52.04 C ATOM 749 CE2 PHE A 46 4.397 -2.553 14.165 1.00 52.45 C ATOM 750 CZ PHE A 46 4.197 -3.916 14.263 1.00 4.52 C ATOM 0 HA PHE A 46 6.617 -3.115 10.096 1.00 52.33 H new ATOM 0 HB2 PHE A 46 4.408 -1.061 10.461 1.00 51.03 H new ATOM 0 HB3 PHE A 46 4.116 -2.608 9.691 1.00 51.03 H new ATOM 0 HD1 PHE A 46 4.333 -4.714 10.994 1.00 63.11 H new ATOM 0 HD2 PHE A 46 4.732 -0.901 12.858 1.00 75.41 H new ATOM 0 HE1 PHE A 46 4.013 -5.757 13.194 1.00 52.04 H new ATOM 0 HE2 PHE A 46 4.414 -1.945 15.057 1.00 52.45 H new ATOM 0 HZ PHE A 46 4.060 -4.375 15.231 1.00 4.52 H new ATOM 760 N VAL A 47 6.430 -2.883 7.614 1.00 12.41 N ATOM 761 CA VAL A 47 6.473 -2.761 6.152 1.00 30.02 C ATOM 762 C VAL A 47 5.386 -3.627 5.501 1.00 63.04 C ATOM 763 O VAL A 47 5.459 -4.861 5.537 1.00 64.01 O ATOM 764 CB VAL A 47 7.852 -3.178 5.582 1.00 4.24 C ATOM 765 CG1 VAL A 47 7.917 -2.927 4.074 1.00 50.42 C ATOM 766 CG2 VAL A 47 8.988 -2.458 6.309 1.00 11.12 C ATOM 0 H VAL A 47 6.557 -3.836 7.955 1.00 12.41 H new ATOM 0 HA VAL A 47 6.298 -1.711 5.918 1.00 30.02 H new ATOM 0 HB VAL A 47 7.976 -4.248 5.750 1.00 4.24 H new ATOM 0 HG11 VAL A 47 8.895 -3.228 3.697 1.00 50.42 H new ATOM 0 HG12 VAL A 47 7.141 -3.508 3.575 1.00 50.42 H new ATOM 0 HG13 VAL A 47 7.761 -1.867 3.875 1.00 50.42 H new ATOM 0 HG21 VAL A 47 9.944 -2.770 5.889 1.00 11.12 H new ATOM 0 HG22 VAL A 47 8.872 -1.381 6.188 1.00 11.12 H new ATOM 0 HG23 VAL A 47 8.959 -2.710 7.369 1.00 11.12 H new ATOM 776 N MET A 48 4.389 -2.974 4.909 1.00 61.22 N ATOM 777 CA MET A 48 3.266 -3.664 4.260 1.00 21.50 C ATOM 778 C MET A 48 3.390 -3.592 2.730 1.00 74.53 C ATOM 779 O MET A 48 4.017 -2.678 2.192 1.00 43.25 O ATOM 780 CB MET A 48 1.936 -3.032 4.703 1.00 50.13 C ATOM 781 CG MET A 48 1.689 -3.087 6.209 1.00 1.45 C ATOM 782 SD MET A 48 1.336 -4.753 6.810 1.00 3.55 S ATOM 783 CE MET A 48 -0.252 -5.075 6.048 1.00 22.44 C ATOM 0 H MET A 48 4.332 -1.957 4.863 1.00 61.22 H new ATOM 0 HA MET A 48 3.288 -4.712 4.560 1.00 21.50 H new ATOM 0 HB2 MET A 48 1.916 -1.991 4.380 1.00 50.13 H new ATOM 0 HB3 MET A 48 1.117 -3.540 4.193 1.00 50.13 H new ATOM 0 HG2 MET A 48 2.564 -2.698 6.729 1.00 1.45 H new ATOM 0 HG3 MET A 48 0.853 -2.433 6.458 1.00 1.45 H new ATOM 0 HE1 MET A 48 -0.654 -6.015 6.427 1.00 22.44 H new ATOM 0 HE2 MET A 48 -0.941 -4.264 6.285 1.00 22.44 H new ATOM 0 HE3 MET A 48 -0.130 -5.142 4.967 1.00 22.44 H new ATOM 793 N GLU A 49 2.785 -4.553 2.037 1.00 71.45 N ATOM 794 CA GLU A 49 2.819 -4.595 0.570 1.00 42.33 C ATOM 795 C GLU A 49 1.404 -4.649 -0.020 1.00 1.22 C ATOM 796 O GLU A 49 0.565 -5.447 0.410 1.00 23.05 O ATOM 797 CB GLU A 49 3.637 -5.805 0.100 1.00 52.44 C ATOM 798 CG GLU A 49 3.748 -5.952 -1.415 1.00 61.11 C ATOM 799 CD GLU A 49 4.753 -7.022 -1.827 1.00 3.42 C ATOM 800 OE1 GLU A 49 4.461 -8.223 -1.655 1.00 4.34 O ATOM 801 OE2 GLU A 49 5.847 -6.662 -2.321 1.00 32.22 O ATOM 0 H GLU A 49 2.263 -5.317 2.465 1.00 71.45 H new ATOM 0 HA GLU A 49 3.294 -3.680 0.215 1.00 42.33 H new ATOM 0 HB2 GLU A 49 4.641 -5.732 0.519 1.00 52.44 H new ATOM 0 HB3 GLU A 49 3.187 -6.711 0.507 1.00 52.44 H new ATOM 0 HG2 GLU A 49 2.769 -6.201 -1.825 1.00 61.11 H new ATOM 0 HG3 GLU A 49 4.042 -4.996 -1.849 1.00 61.11 H new ATOM 808 N VAL A 50 1.145 -3.792 -1.002 1.00 13.51 N ATOM 809 CA VAL A 50 -0.152 -3.747 -1.676 1.00 72.42 C ATOM 810 C VAL A 50 -0.020 -4.063 -3.175 1.00 30.35 C ATOM 811 O VAL A 50 0.716 -3.394 -3.900 1.00 11.42 O ATOM 812 CB VAL A 50 -0.846 -2.368 -1.493 1.00 43.11 C ATOM 813 CG1 VAL A 50 0.023 -1.229 -2.027 1.00 14.11 C ATOM 814 CG2 VAL A 50 -2.223 -2.362 -2.157 1.00 31.43 C ATOM 0 H VAL A 50 1.821 -3.113 -1.353 1.00 13.51 H new ATOM 0 HA VAL A 50 -0.772 -4.513 -1.210 1.00 72.42 H new ATOM 0 HB VAL A 50 -0.981 -2.204 -0.424 1.00 43.11 H new ATOM 0 HG11 VAL A 50 -0.493 -0.280 -1.883 1.00 14.11 H new ATOM 0 HG12 VAL A 50 0.971 -1.212 -1.490 1.00 14.11 H new ATOM 0 HG13 VAL A 50 0.211 -1.382 -3.090 1.00 14.11 H new ATOM 0 HG21 VAL A 50 -2.690 -1.387 -2.016 1.00 31.43 H new ATOM 0 HG22 VAL A 50 -2.114 -2.562 -3.223 1.00 31.43 H new ATOM 0 HG23 VAL A 50 -2.848 -3.133 -1.706 1.00 31.43 H new ATOM 824 N GLU A 51 -0.715 -5.101 -3.635 1.00 32.11 N ATOM 825 CA GLU A 51 -0.730 -5.433 -5.062 1.00 51.13 C ATOM 826 C GLU A 51 -1.857 -4.688 -5.789 1.00 22.13 C ATOM 827 O GLU A 51 -3.035 -5.049 -5.690 1.00 0.31 O ATOM 828 CB GLU A 51 -0.864 -6.945 -5.279 1.00 54.12 C ATOM 829 CG GLU A 51 -1.032 -7.338 -6.747 1.00 10.42 C ATOM 830 CD GLU A 51 -1.042 -8.841 -6.965 1.00 12.32 C ATOM 831 OE1 GLU A 51 -1.735 -9.556 -6.215 1.00 1.51 O ATOM 832 OE2 GLU A 51 -0.347 -9.318 -7.886 1.00 14.43 O ATOM 0 H GLU A 51 -1.271 -5.723 -3.048 1.00 32.11 H new ATOM 0 HA GLU A 51 0.223 -5.112 -5.483 1.00 51.13 H new ATOM 0 HB2 GLU A 51 0.019 -7.441 -4.877 1.00 54.12 H new ATOM 0 HB3 GLU A 51 -1.721 -7.311 -4.713 1.00 54.12 H new ATOM 0 HG2 GLU A 51 -1.963 -6.916 -7.125 1.00 10.42 H new ATOM 0 HG3 GLU A 51 -0.223 -6.898 -7.329 1.00 10.42 H new ATOM 839 N VAL A 52 -1.482 -3.637 -6.506 1.00 62.14 N ATOM 840 CA VAL A 52 -2.427 -2.813 -7.255 1.00 43.12 C ATOM 841 C VAL A 52 -2.257 -3.025 -8.764 1.00 75.34 C ATOM 842 O VAL A 52 -1.156 -2.867 -9.292 1.00 0.33 O ATOM 843 CB VAL A 52 -2.218 -1.314 -6.929 1.00 41.45 C ATOM 844 CG1 VAL A 52 -3.271 -0.450 -7.612 1.00 14.24 C ATOM 845 CG2 VAL A 52 -2.222 -1.086 -5.423 1.00 3.13 C ATOM 0 H VAL A 52 -0.513 -3.330 -6.586 1.00 62.14 H new ATOM 0 HA VAL A 52 -3.433 -3.112 -6.961 1.00 43.12 H new ATOM 0 HB VAL A 52 -1.243 -1.018 -7.317 1.00 41.45 H new ATOM 0 HG11 VAL A 52 -3.099 0.597 -7.365 1.00 14.24 H new ATOM 0 HG12 VAL A 52 -3.206 -0.583 -8.692 1.00 14.24 H new ATOM 0 HG13 VAL A 52 -4.262 -0.745 -7.269 1.00 14.24 H new ATOM 0 HG21 VAL A 52 -2.074 -0.026 -5.215 1.00 3.13 H new ATOM 0 HG22 VAL A 52 -3.178 -1.407 -5.009 1.00 3.13 H new ATOM 0 HG23 VAL A 52 -1.417 -1.662 -4.966 1.00 3.13 H new ATOM 855 N ASP A 53 -3.340 -3.408 -9.446 1.00 32.55 N ATOM 856 CA ASP A 53 -3.316 -3.595 -10.906 1.00 12.43 C ATOM 857 C ASP A 53 -2.429 -4.800 -11.301 1.00 43.30 C ATOM 858 O ASP A 53 -2.122 -5.017 -12.474 1.00 1.22 O ATOM 859 CB ASP A 53 -2.838 -2.285 -11.571 1.00 30.05 C ATOM 860 CG ASP A 53 -2.799 -2.345 -13.087 1.00 31.13 C ATOM 861 OD1 ASP A 53 -3.870 -2.502 -13.708 1.00 1.40 O ATOM 862 OD2 ASP A 53 -1.696 -2.232 -13.663 1.00 24.04 O ATOM 0 H ASP A 53 -4.245 -3.595 -9.014 1.00 32.55 H new ATOM 0 HA ASP A 53 -4.321 -3.823 -11.261 1.00 12.43 H new ATOM 0 HB2 ASP A 53 -3.497 -1.472 -11.266 1.00 30.05 H new ATOM 0 HB3 ASP A 53 -1.842 -2.043 -11.201 1.00 30.05 H new ATOM 867 N GLY A 54 -2.069 -5.613 -10.309 1.00 52.23 N ATOM 868 CA GLY A 54 -1.171 -6.742 -10.541 1.00 1.13 C ATOM 869 C GLY A 54 0.275 -6.434 -10.164 1.00 44.41 C ATOM 870 O GLY A 54 1.153 -7.285 -10.280 1.00 21.24 O ATOM 0 H GLY A 54 -2.383 -5.512 -9.344 1.00 52.23 H new ATOM 0 HA2 GLY A 54 -1.517 -7.600 -9.965 1.00 1.13 H new ATOM 0 HA3 GLY A 54 -1.215 -7.025 -11.593 1.00 1.13 H new ATOM 874 N GLN A 55 0.517 -5.209 -9.704 1.00 61.33 N ATOM 875 CA GLN A 55 1.858 -4.763 -9.312 1.00 53.41 C ATOM 876 C GLN A 55 1.965 -4.597 -7.787 1.00 70.34 C ATOM 877 O GLN A 55 1.125 -3.946 -7.169 1.00 64.53 O ATOM 878 CB GLN A 55 2.170 -3.427 -10.000 1.00 40.23 C ATOM 879 CG GLN A 55 2.199 -3.506 -11.523 1.00 61.12 C ATOM 880 CD GLN A 55 2.256 -2.137 -12.177 1.00 74.42 C ATOM 881 OE1 GLN A 55 3.328 -1.574 -12.386 1.00 35.13 O ATOM 882 NE2 GLN A 55 1.104 -1.593 -12.515 1.00 22.33 N ATOM 0 H GLN A 55 -0.205 -4.498 -9.592 1.00 61.33 H new ATOM 0 HA GLN A 55 2.578 -5.520 -9.622 1.00 53.41 H new ATOM 0 HB2 GLN A 55 1.424 -2.692 -9.699 1.00 40.23 H new ATOM 0 HB3 GLN A 55 3.135 -3.065 -9.647 1.00 40.23 H new ATOM 0 HG2 GLN A 55 3.064 -4.091 -11.837 1.00 61.12 H new ATOM 0 HG3 GLN A 55 1.313 -4.035 -11.873 1.00 61.12 H new ATOM 0 HE21 GLN A 55 0.232 -2.087 -12.327 1.00 22.33 H new ATOM 0 HE22 GLN A 55 1.085 -0.678 -12.964 1.00 22.33 H new ATOM 891 N LYS A 56 2.994 -5.189 -7.185 1.00 53.53 N ATOM 892 CA LYS A 56 3.226 -5.059 -5.739 1.00 51.30 C ATOM 893 C LYS A 56 3.944 -3.738 -5.387 1.00 54.45 C ATOM 894 O LYS A 56 4.919 -3.357 -6.036 1.00 31.33 O ATOM 895 CB LYS A 56 4.054 -6.244 -5.210 1.00 50.40 C ATOM 896 CG LYS A 56 3.288 -7.560 -5.046 1.00 1.44 C ATOM 897 CD LYS A 56 2.973 -8.241 -6.377 1.00 41.30 C ATOM 898 CE LYS A 56 2.412 -9.644 -6.157 1.00 31.22 C ATOM 899 NZ LYS A 56 2.105 -10.335 -7.436 1.00 0.43 N ATOM 0 H LYS A 56 3.682 -5.764 -7.671 1.00 53.53 H new ATOM 0 HA LYS A 56 2.246 -5.056 -5.261 1.00 51.30 H new ATOM 0 HB2 LYS A 56 4.890 -6.412 -5.888 1.00 50.40 H new ATOM 0 HB3 LYS A 56 4.477 -5.967 -4.245 1.00 50.40 H new ATOM 0 HG2 LYS A 56 3.874 -8.239 -4.427 1.00 1.44 H new ATOM 0 HG3 LYS A 56 2.356 -7.367 -4.514 1.00 1.44 H new ATOM 0 HD2 LYS A 56 2.253 -7.641 -6.935 1.00 41.30 H new ATOM 0 HD3 LYS A 56 3.877 -8.298 -6.983 1.00 41.30 H new ATOM 0 HE2 LYS A 56 3.131 -10.236 -5.590 1.00 31.22 H new ATOM 0 HE3 LYS A 56 1.506 -9.580 -5.554 1.00 31.22 H new ATOM 0 HZ1 LYS A 56 1.890 -11.335 -7.247 1.00 0.43 H new ATOM 0 HZ2 LYS A 56 1.284 -9.883 -7.886 1.00 0.43 H new ATOM 0 HZ3 LYS A 56 2.926 -10.272 -8.071 1.00 0.43 H new ATOM 913 N PHE A 57 3.453 -3.048 -4.356 1.00 73.10 N ATOM 914 CA PHE A 57 4.080 -1.814 -3.854 1.00 34.22 C ATOM 915 C PHE A 57 4.228 -1.859 -2.321 1.00 55.31 C ATOM 916 O PHE A 57 3.244 -2.050 -1.609 1.00 13.04 O ATOM 917 CB PHE A 57 3.239 -0.586 -4.241 1.00 73.32 C ATOM 918 CG PHE A 57 3.045 -0.402 -5.728 1.00 43.12 C ATOM 919 CD1 PHE A 57 3.983 0.284 -6.488 1.00 73.52 C ATOM 920 CD2 PHE A 57 1.919 -0.906 -6.361 1.00 53.35 C ATOM 921 CE1 PHE A 57 3.802 0.459 -7.847 1.00 34.04 C ATOM 922 CE2 PHE A 57 1.733 -0.733 -7.720 1.00 55.01 C ATOM 923 CZ PHE A 57 2.676 -0.050 -8.463 1.00 64.21 C ATOM 0 H PHE A 57 2.614 -3.323 -3.845 1.00 73.10 H new ATOM 0 HA PHE A 57 5.068 -1.736 -4.308 1.00 34.22 H new ATOM 0 HB2 PHE A 57 2.261 -0.668 -3.767 1.00 73.32 H new ATOM 0 HB3 PHE A 57 3.716 0.307 -3.836 1.00 73.32 H new ATOM 0 HD1 PHE A 57 4.865 0.686 -6.011 1.00 73.52 H new ATOM 0 HD2 PHE A 57 1.178 -1.440 -5.785 1.00 53.35 H new ATOM 0 HE1 PHE A 57 4.540 0.993 -8.426 1.00 34.04 H new ATOM 0 HE2 PHE A 57 0.851 -1.131 -8.200 1.00 55.01 H new ATOM 0 HZ PHE A 57 2.533 0.086 -9.525 1.00 64.21 H new ATOM 933 N GLN A 58 5.445 -1.678 -1.812 1.00 35.14 N ATOM 934 CA GLN A 58 5.687 -1.736 -0.359 1.00 4.55 C ATOM 935 C GLN A 58 5.830 -0.344 0.279 1.00 21.12 C ATOM 936 O GLN A 58 6.301 0.608 -0.349 1.00 35.11 O ATOM 937 CB GLN A 58 6.937 -2.573 -0.053 1.00 32.31 C ATOM 938 CG GLN A 58 6.750 -4.063 -0.314 1.00 73.50 C ATOM 939 CD GLN A 58 7.986 -4.888 0.002 1.00 62.50 C ATOM 940 OE1 GLN A 58 8.782 -4.540 0.867 1.00 32.03 O ATOM 941 NE2 GLN A 58 8.152 -5.994 -0.688 1.00 14.13 N ATOM 0 H GLN A 58 6.277 -1.491 -2.372 1.00 35.14 H new ATOM 0 HA GLN A 58 4.808 -2.208 0.080 1.00 4.55 H new ATOM 0 HB2 GLN A 58 7.766 -2.207 -0.658 1.00 32.31 H new ATOM 0 HB3 GLN A 58 7.216 -2.427 0.991 1.00 32.31 H new ATOM 0 HG2 GLN A 58 5.915 -4.428 0.285 1.00 73.50 H new ATOM 0 HG3 GLN A 58 6.481 -4.211 -1.360 1.00 73.50 H new ATOM 0 HE21 GLN A 58 7.472 -6.257 -1.401 1.00 14.13 H new ATOM 0 HE22 GLN A 58 8.961 -6.590 -0.510 1.00 14.13 H new ATOM 950 N GLY A 59 5.427 -0.250 1.547 1.00 52.21 N ATOM 951 CA GLY A 59 5.542 0.994 2.303 1.00 33.24 C ATOM 952 C GLY A 59 5.788 0.749 3.791 1.00 2.20 C ATOM 953 O GLY A 59 5.340 -0.259 4.344 1.00 74.50 O ATOM 0 H GLY A 59 5.018 -1.023 2.071 1.00 52.21 H new ATOM 0 HA2 GLY A 59 6.359 1.590 1.895 1.00 33.24 H new ATOM 0 HA3 GLY A 59 4.629 1.577 2.179 1.00 33.24 H new ATOM 957 N ALA A 60 6.490 1.671 4.447 1.00 13.44 N ATOM 958 CA ALA A 60 6.863 1.503 5.860 1.00 41.23 C ATOM 959 C ALA A 60 6.222 2.569 6.762 1.00 5.03 C ATOM 960 O ALA A 60 6.197 3.754 6.423 1.00 61.51 O ATOM 961 CB ALA A 60 8.382 1.536 6.003 1.00 34.41 C ATOM 0 H ALA A 60 6.814 2.543 4.028 1.00 13.44 H new ATOM 0 HA ALA A 60 6.484 0.535 6.187 1.00 41.23 H new ATOM 0 HB1 ALA A 60 8.652 1.411 7.052 1.00 34.41 H new ATOM 0 HB2 ALA A 60 8.820 0.728 5.417 1.00 34.41 H new ATOM 0 HB3 ALA A 60 8.761 2.492 5.643 1.00 34.41 H new ATOM 967 N GLY A 61 5.711 2.135 7.916 1.00 24.21 N ATOM 968 CA GLY A 61 5.088 3.050 8.870 1.00 23.33 C ATOM 969 C GLY A 61 5.235 2.595 10.323 1.00 74.35 C ATOM 970 O GLY A 61 5.892 1.589 10.605 1.00 64.20 O ATOM 0 H GLY A 61 5.717 1.158 8.210 1.00 24.21 H new ATOM 0 HA2 GLY A 61 5.532 4.039 8.759 1.00 23.33 H new ATOM 0 HA3 GLY A 61 4.029 3.148 8.632 1.00 23.33 H new ATOM 974 N SER A 62 4.619 3.338 11.248 1.00 22.22 N ATOM 975 CA SER A 62 4.709 3.029 12.688 1.00 23.22 C ATOM 976 C SER A 62 3.835 1.822 13.077 1.00 34.11 C ATOM 977 O SER A 62 4.156 1.086 14.006 1.00 10.55 O ATOM 978 CB SER A 62 4.291 4.249 13.525 1.00 12.34 C ATOM 979 OG SER A 62 5.003 5.414 13.133 1.00 35.24 O ATOM 0 H SER A 62 4.052 4.158 11.031 1.00 22.22 H new ATOM 0 HA SER A 62 5.749 2.776 12.895 1.00 23.22 H new ATOM 0 HB2 SER A 62 3.220 4.420 13.413 1.00 12.34 H new ATOM 0 HB3 SER A 62 4.473 4.048 14.581 1.00 12.34 H new ATOM 0 HG SER A 62 4.715 6.173 13.681 1.00 35.24 H new ATOM 985 N ASN A 63 2.721 1.644 12.370 1.00 21.14 N ATOM 986 CA ASN A 63 1.810 0.511 12.602 1.00 51.12 C ATOM 987 C ASN A 63 1.213 0.014 11.272 1.00 3.00 C ATOM 988 O ASN A 63 1.317 0.700 10.257 1.00 4.02 O ATOM 989 CB ASN A 63 0.697 0.902 13.589 1.00 72.22 C ATOM 990 CG ASN A 63 -0.085 2.131 13.150 1.00 34.54 C ATOM 991 OD1 ASN A 63 0.280 3.259 13.461 1.00 65.41 O ATOM 992 ND2 ASN A 63 -1.176 1.927 12.435 1.00 31.00 N ATOM 0 H ASN A 63 2.421 2.272 11.625 1.00 21.14 H new ATOM 0 HA ASN A 63 2.383 -0.305 13.043 1.00 51.12 H new ATOM 0 HB2 ASN A 63 0.010 0.063 13.704 1.00 72.22 H new ATOM 0 HB3 ASN A 63 1.137 1.090 14.568 1.00 72.22 H new ATOM 0 HD21 ASN A 63 -1.739 2.719 12.127 1.00 31.00 H new ATOM 0 HD22 ASN A 63 -1.456 0.977 12.191 1.00 31.00 H new ATOM 999 N LYS A 64 0.578 -1.164 11.289 1.00 13.34 N ATOM 1000 CA LYS A 64 0.074 -1.806 10.058 1.00 33.44 C ATOM 1001 C LYS A 64 -0.729 -0.845 9.164 1.00 11.04 C ATOM 1002 O LYS A 64 -0.402 -0.668 7.991 1.00 32.13 O ATOM 1003 CB LYS A 64 -0.786 -3.034 10.396 1.00 44.00 C ATOM 1004 CG LYS A 64 -0.019 -4.153 11.095 1.00 3.33 C ATOM 1005 CD LYS A 64 -0.878 -5.403 11.283 1.00 3.52 C ATOM 1006 CE LYS A 64 -0.138 -6.490 12.061 1.00 60.21 C ATOM 1007 NZ LYS A 64 0.141 -6.078 13.463 1.00 40.15 N ATOM 0 H LYS A 64 0.398 -1.697 12.140 1.00 13.34 H new ATOM 0 HA LYS A 64 0.955 -2.116 9.496 1.00 33.44 H new ATOM 0 HB2 LYS A 64 -1.614 -2.721 11.033 1.00 44.00 H new ATOM 0 HB3 LYS A 64 -1.221 -3.425 9.476 1.00 44.00 H new ATOM 0 HG2 LYS A 64 0.866 -4.406 10.511 1.00 3.33 H new ATOM 0 HG3 LYS A 64 0.329 -3.802 12.067 1.00 3.33 H new ATOM 0 HD2 LYS A 64 -1.794 -5.138 11.811 1.00 3.52 H new ATOM 0 HD3 LYS A 64 -1.173 -5.791 10.308 1.00 3.52 H new ATOM 0 HE2 LYS A 64 -0.733 -7.403 12.063 1.00 60.21 H new ATOM 0 HE3 LYS A 64 0.800 -6.722 11.557 1.00 60.21 H new ATOM 0 HZ1 LYS A 64 0.440 -6.907 14.015 1.00 40.15 H new ATOM 0 HZ2 LYS A 64 0.898 -5.365 13.471 1.00 40.15 H new ATOM 0 HZ3 LYS A 64 -0.720 -5.673 13.884 1.00 40.15 H new ATOM 1021 N LYS A 65 -1.781 -0.232 9.713 1.00 54.25 N ATOM 1022 CA LYS A 65 -2.617 0.704 8.942 1.00 1.41 C ATOM 1023 C LYS A 65 -1.781 1.832 8.308 1.00 5.45 C ATOM 1024 O LYS A 65 -1.919 2.129 7.121 1.00 41.32 O ATOM 1025 CB LYS A 65 -3.717 1.311 9.824 1.00 31.54 C ATOM 1026 CG LYS A 65 -4.737 0.297 10.337 1.00 71.24 C ATOM 1027 CD LYS A 65 -5.873 0.968 11.113 1.00 1.21 C ATOM 1028 CE LYS A 65 -6.645 1.953 10.243 1.00 45.21 C ATOM 1029 NZ LYS A 65 -7.769 2.595 10.976 1.00 14.31 N ATOM 0 H LYS A 65 -2.076 -0.363 10.681 1.00 54.25 H new ATOM 0 HA LYS A 65 -3.077 0.128 8.139 1.00 1.41 H new ATOM 0 HB2 LYS A 65 -3.252 1.805 10.677 1.00 31.54 H new ATOM 0 HB3 LYS A 65 -4.240 2.080 9.256 1.00 31.54 H new ATOM 0 HG2 LYS A 65 -5.151 -0.258 9.495 1.00 71.24 H new ATOM 0 HG3 LYS A 65 -4.237 -0.427 10.980 1.00 71.24 H new ATOM 0 HD2 LYS A 65 -6.554 0.206 11.492 1.00 1.21 H new ATOM 0 HD3 LYS A 65 -5.464 1.490 11.978 1.00 1.21 H new ATOM 0 HE2 LYS A 65 -5.965 2.723 9.879 1.00 45.21 H new ATOM 0 HE3 LYS A 65 -7.035 1.433 9.368 1.00 45.21 H new ATOM 0 HZ1 LYS A 65 -8.264 3.256 10.343 1.00 14.31 H new ATOM 0 HZ2 LYS A 65 -8.434 1.864 11.301 1.00 14.31 H new ATOM 0 HZ3 LYS A 65 -7.397 3.114 11.797 1.00 14.31 H new ATOM 1043 N VAL A 66 -0.906 2.445 9.104 1.00 64.41 N ATOM 1044 CA VAL A 66 -0.042 3.529 8.615 1.00 71.52 C ATOM 1045 C VAL A 66 0.914 3.038 7.512 1.00 50.52 C ATOM 1046 O VAL A 66 1.132 3.724 6.512 1.00 60.22 O ATOM 1047 CB VAL A 66 0.772 4.161 9.775 1.00 21.14 C ATOM 1048 CG1 VAL A 66 1.768 5.195 9.259 1.00 30.43 C ATOM 1049 CG2 VAL A 66 -0.165 4.794 10.800 1.00 11.20 C ATOM 0 H VAL A 66 -0.774 2.213 10.088 1.00 64.41 H new ATOM 0 HA VAL A 66 -0.696 4.290 8.188 1.00 71.52 H new ATOM 0 HB VAL A 66 1.337 3.363 10.257 1.00 21.14 H new ATOM 0 HG11 VAL A 66 2.321 5.618 10.098 1.00 30.43 H new ATOM 0 HG12 VAL A 66 2.464 4.717 8.569 1.00 30.43 H new ATOM 0 HG13 VAL A 66 1.232 5.990 8.741 1.00 30.43 H new ATOM 0 HG21 VAL A 66 0.422 5.233 11.607 1.00 11.20 H new ATOM 0 HG22 VAL A 66 -0.759 5.571 10.319 1.00 11.20 H new ATOM 0 HG23 VAL A 66 -0.828 4.031 11.207 1.00 11.20 H new ATOM 1059 N ALA A 67 1.468 1.843 7.689 1.00 61.00 N ATOM 1060 CA ALA A 67 2.348 1.244 6.681 1.00 30.30 C ATOM 1061 C ALA A 67 1.578 0.947 5.383 1.00 74.54 C ATOM 1062 O ALA A 67 2.098 1.136 4.282 1.00 11.13 O ATOM 1063 CB ALA A 67 2.992 -0.023 7.228 1.00 0.25 C ATOM 0 H ALA A 67 1.326 1.267 8.519 1.00 61.00 H new ATOM 0 HA ALA A 67 3.135 1.960 6.445 1.00 30.30 H new ATOM 0 HB1 ALA A 67 3.643 -0.457 6.469 1.00 0.25 H new ATOM 0 HB2 ALA A 67 3.579 0.220 8.113 1.00 0.25 H new ATOM 0 HB3 ALA A 67 2.215 -0.740 7.494 1.00 0.25 H new ATOM 1069 N LYS A 68 0.332 0.488 5.526 1.00 54.14 N ATOM 1070 CA LYS A 68 -0.562 0.278 4.378 1.00 63.41 C ATOM 1071 C LYS A 68 -0.819 1.596 3.638 1.00 12.21 C ATOM 1072 O LYS A 68 -0.927 1.623 2.412 1.00 24.50 O ATOM 1073 CB LYS A 68 -1.898 -0.326 4.840 1.00 63.04 C ATOM 1074 CG LYS A 68 -1.780 -1.746 5.391 1.00 24.23 C ATOM 1075 CD LYS A 68 -3.104 -2.265 5.955 1.00 60.54 C ATOM 1076 CE LYS A 68 -4.222 -2.236 4.918 1.00 72.22 C ATOM 1077 NZ LYS A 68 -5.455 -2.910 5.401 1.00 71.34 N ATOM 0 H LYS A 68 -0.084 0.253 6.427 1.00 54.14 H new ATOM 0 HA LYS A 68 -0.073 -0.417 3.695 1.00 63.41 H new ATOM 0 HB2 LYS A 68 -2.329 0.316 5.608 1.00 63.04 H new ATOM 0 HB3 LYS A 68 -2.593 -0.330 4.000 1.00 63.04 H new ATOM 0 HG2 LYS A 68 -1.439 -2.413 4.599 1.00 24.23 H new ATOM 0 HG3 LYS A 68 -1.022 -1.767 6.174 1.00 24.23 H new ATOM 0 HD2 LYS A 68 -2.969 -3.286 6.313 1.00 60.54 H new ATOM 0 HD3 LYS A 68 -3.393 -1.661 6.815 1.00 60.54 H new ATOM 0 HE2 LYS A 68 -4.452 -1.201 4.663 1.00 72.22 H new ATOM 0 HE3 LYS A 68 -3.880 -2.721 4.004 1.00 72.22 H new ATOM 0 HZ1 LYS A 68 -6.187 -2.865 4.663 1.00 71.34 H new ATOM 0 HZ2 LYS A 68 -5.244 -3.905 5.620 1.00 71.34 H new ATOM 0 HZ3 LYS A 68 -5.799 -2.432 6.259 1.00 71.34 H new ATOM 1091 N ALA A 69 -0.919 2.684 4.399 1.00 74.50 N ATOM 1092 CA ALA A 69 -1.111 4.017 3.824 1.00 21.10 C ATOM 1093 C ALA A 69 0.085 4.436 2.952 1.00 31.01 C ATOM 1094 O ALA A 69 -0.092 4.919 1.831 1.00 30.12 O ATOM 1095 CB ALA A 69 -1.357 5.034 4.932 1.00 72.35 C ATOM 0 H ALA A 69 -0.870 2.670 5.418 1.00 74.50 H new ATOM 0 HA ALA A 69 -1.987 3.983 3.176 1.00 21.10 H new ATOM 0 HB1 ALA A 69 -1.499 6.022 4.494 1.00 72.35 H new ATOM 0 HB2 ALA A 69 -2.250 4.754 5.491 1.00 72.35 H new ATOM 0 HB3 ALA A 69 -0.499 5.055 5.604 1.00 72.35 H new ATOM 1101 N TYR A 70 1.303 4.246 3.464 1.00 63.43 N ATOM 1102 CA TYR A 70 2.516 4.524 2.682 1.00 62.12 C ATOM 1103 C TYR A 70 2.624 3.592 1.465 1.00 52.44 C ATOM 1104 O TYR A 70 3.011 4.021 0.376 1.00 54.35 O ATOM 1105 CB TYR A 70 3.771 4.403 3.556 1.00 43.02 C ATOM 1106 CG TYR A 70 3.935 5.548 4.542 1.00 70.23 C ATOM 1107 CD1 TYR A 70 4.417 6.784 4.120 1.00 71.52 C ATOM 1108 CD2 TYR A 70 3.611 5.396 5.885 1.00 4.44 C ATOM 1109 CE1 TYR A 70 4.569 7.832 5.010 1.00 24.25 C ATOM 1110 CE2 TYR A 70 3.762 6.439 6.778 1.00 3.21 C ATOM 1111 CZ TYR A 70 4.240 7.653 6.338 1.00 13.12 C ATOM 1112 OH TYR A 70 4.390 8.692 7.229 1.00 23.02 O ATOM 0 H TYR A 70 1.478 3.904 4.409 1.00 63.43 H new ATOM 0 HA TYR A 70 2.442 5.549 2.319 1.00 62.12 H new ATOM 0 HB2 TYR A 70 3.732 3.463 4.106 1.00 43.02 H new ATOM 0 HB3 TYR A 70 4.650 4.359 2.912 1.00 43.02 H new ATOM 0 HD1 TYR A 70 4.676 6.927 3.081 1.00 71.52 H new ATOM 0 HD2 TYR A 70 3.235 4.447 6.236 1.00 4.44 H new ATOM 0 HE1 TYR A 70 4.943 8.785 4.667 1.00 24.25 H new ATOM 0 HE2 TYR A 70 3.506 6.303 7.818 1.00 3.21 H new ATOM 0 HH TYR A 70 4.113 8.400 8.122 1.00 23.02 H new ATOM 1122 N ALA A 71 2.280 2.317 1.653 1.00 11.35 N ATOM 1123 CA ALA A 71 2.238 1.356 0.544 1.00 3.35 C ATOM 1124 C ALA A 71 1.275 1.831 -0.555 1.00 25.04 C ATOM 1125 O ALA A 71 1.590 1.777 -1.747 1.00 64.04 O ATOM 1126 CB ALA A 71 1.830 -0.022 1.053 1.00 3.04 C ATOM 0 H ALA A 71 2.027 1.924 2.560 1.00 11.35 H new ATOM 0 HA ALA A 71 3.237 1.287 0.113 1.00 3.35 H new ATOM 0 HB1 ALA A 71 1.803 -0.724 0.220 1.00 3.04 H new ATOM 0 HB2 ALA A 71 2.553 -0.365 1.793 1.00 3.04 H new ATOM 0 HB3 ALA A 71 0.842 0.037 1.510 1.00 3.04 H new ATOM 1132 N ALA A 72 0.103 2.313 -0.138 1.00 64.22 N ATOM 1133 CA ALA A 72 -0.880 2.880 -1.064 1.00 45.22 C ATOM 1134 C ALA A 72 -0.310 4.100 -1.807 1.00 24.05 C ATOM 1135 O ALA A 72 -0.520 4.254 -3.009 1.00 74.04 O ATOM 1136 CB ALA A 72 -2.155 3.255 -0.313 1.00 35.10 C ATOM 0 H ALA A 72 -0.190 2.322 0.839 1.00 64.22 H new ATOM 0 HA ALA A 72 -1.120 2.122 -1.810 1.00 45.22 H new ATOM 0 HB1 ALA A 72 -2.878 3.675 -1.012 1.00 35.10 H new ATOM 0 HB2 ALA A 72 -2.577 2.365 0.155 1.00 35.10 H new ATOM 0 HB3 ALA A 72 -1.921 3.992 0.455 1.00 35.10 H new ATOM 1142 N LEU A 73 0.413 4.958 -1.083 1.00 22.23 N ATOM 1143 CA LEU A 73 1.109 6.101 -1.695 1.00 42.11 C ATOM 1144 C LEU A 73 2.091 5.639 -2.780 1.00 63.11 C ATOM 1145 O LEU A 73 2.207 6.266 -3.833 1.00 63.01 O ATOM 1146 CB LEU A 73 1.863 6.906 -0.621 1.00 14.11 C ATOM 1147 CG LEU A 73 0.994 7.786 0.292 1.00 3.24 C ATOM 1148 CD1 LEU A 73 1.844 8.421 1.391 1.00 30.34 C ATOM 1149 CD2 LEU A 73 0.287 8.863 -0.523 1.00 75.04 C ATOM 0 H LEU A 73 0.534 4.886 -0.073 1.00 22.23 H new ATOM 0 HA LEU A 73 0.356 6.737 -2.161 1.00 42.11 H new ATOM 0 HB2 LEU A 73 2.421 6.208 0.003 1.00 14.11 H new ATOM 0 HB3 LEU A 73 2.594 7.543 -1.119 1.00 14.11 H new ATOM 0 HG LEU A 73 0.239 7.155 0.761 1.00 3.24 H new ATOM 0 HD11 LEU A 73 1.212 9.040 2.028 1.00 30.34 H new ATOM 0 HD12 LEU A 73 2.307 7.638 1.991 1.00 30.34 H new ATOM 0 HD13 LEU A 73 2.620 9.039 0.939 1.00 30.34 H new ATOM 0 HD21 LEU A 73 -0.324 9.477 0.138 1.00 75.04 H new ATOM 0 HD22 LEU A 73 1.028 9.490 -1.018 1.00 75.04 H new ATOM 0 HD23 LEU A 73 -0.350 8.393 -1.273 1.00 75.04 H new ATOM 1161 N ALA A 74 2.800 4.542 -2.517 1.00 2.22 N ATOM 1162 CA ALA A 74 3.742 3.983 -3.492 1.00 41.25 C ATOM 1163 C ALA A 74 3.027 3.574 -4.789 1.00 15.33 C ATOM 1164 O ALA A 74 3.563 3.737 -5.888 1.00 45.42 O ATOM 1165 CB ALA A 74 4.487 2.794 -2.895 1.00 71.30 C ATOM 0 H ALA A 74 2.742 4.023 -1.641 1.00 2.22 H new ATOM 0 HA ALA A 74 4.465 4.760 -3.740 1.00 41.25 H new ATOM 0 HB1 ALA A 74 5.182 2.392 -3.633 1.00 71.30 H new ATOM 0 HB2 ALA A 74 5.041 3.117 -2.013 1.00 71.30 H new ATOM 0 HB3 ALA A 74 3.772 2.022 -2.611 1.00 71.30 H new ATOM 1171 N ALA A 75 1.814 3.049 -4.649 1.00 13.33 N ATOM 1172 CA ALA A 75 0.981 2.690 -5.799 1.00 34.43 C ATOM 1173 C ALA A 75 0.445 3.937 -6.519 1.00 70.24 C ATOM 1174 O ALA A 75 0.534 4.048 -7.743 1.00 33.52 O ATOM 1175 CB ALA A 75 -0.173 1.809 -5.342 1.00 1.14 C ATOM 0 H ALA A 75 1.381 2.860 -3.745 1.00 13.33 H new ATOM 0 HA ALA A 75 1.600 2.140 -6.508 1.00 34.43 H new ATOM 0 HB1 ALA A 75 -0.790 1.544 -6.200 1.00 1.14 H new ATOM 0 HB2 ALA A 75 0.221 0.902 -4.884 1.00 1.14 H new ATOM 0 HB3 ALA A 75 -0.777 2.350 -4.614 1.00 1.14 H new ATOM 1181 N LEU A 76 -0.103 4.872 -5.747 1.00 22.13 N ATOM 1182 CA LEU A 76 -0.674 6.108 -6.295 1.00 12.13 C ATOM 1183 C LEU A 76 0.373 6.938 -7.060 1.00 30.04 C ATOM 1184 O LEU A 76 0.149 7.326 -8.200 1.00 52.32 O ATOM 1185 CB LEU A 76 -1.296 6.943 -5.166 1.00 53.05 C ATOM 1186 CG LEU A 76 -2.579 6.357 -4.546 1.00 74.30 C ATOM 1187 CD1 LEU A 76 -3.036 7.189 -3.352 1.00 1.01 C ATOM 1188 CD2 LEU A 76 -3.688 6.262 -5.592 1.00 4.34 C ATOM 0 H LEU A 76 -0.166 4.799 -4.732 1.00 22.13 H new ATOM 0 HA LEU A 76 -1.449 5.827 -7.008 1.00 12.13 H new ATOM 0 HB2 LEU A 76 -0.554 7.067 -4.377 1.00 53.05 H new ATOM 0 HB3 LEU A 76 -1.520 7.937 -5.552 1.00 53.05 H new ATOM 0 HG LEU A 76 -2.354 5.351 -4.191 1.00 74.30 H new ATOM 0 HD11 LEU A 76 -3.943 6.755 -2.932 1.00 1.01 H new ATOM 0 HD12 LEU A 76 -2.253 7.198 -2.594 1.00 1.01 H new ATOM 0 HD13 LEU A 76 -3.239 8.210 -3.676 1.00 1.01 H new ATOM 0 HD21 LEU A 76 -4.585 5.846 -5.134 1.00 4.34 H new ATOM 0 HD22 LEU A 76 -3.907 7.256 -5.981 1.00 4.34 H new ATOM 0 HD23 LEU A 76 -3.364 5.616 -6.408 1.00 4.34 H new ATOM 1200 N GLU A 77 1.524 7.182 -6.439 1.00 2.14 N ATOM 1201 CA GLU A 77 2.588 7.992 -7.056 1.00 52.32 C ATOM 1202 C GLU A 77 3.126 7.367 -8.359 1.00 10.01 C ATOM 1203 O GLU A 77 3.767 8.049 -9.161 1.00 34.12 O ATOM 1204 CB GLU A 77 3.734 8.199 -6.055 1.00 64.43 C ATOM 1205 CG GLU A 77 3.365 9.080 -4.863 1.00 53.32 C ATOM 1206 CD GLU A 77 3.158 10.540 -5.246 1.00 12.44 C ATOM 1207 OE1 GLU A 77 4.168 11.249 -5.446 1.00 33.15 O ATOM 1208 OE2 GLU A 77 1.995 10.989 -5.334 1.00 3.04 O ATOM 0 H GLU A 77 1.750 6.833 -5.508 1.00 2.14 H new ATOM 0 HA GLU A 77 2.151 8.955 -7.321 1.00 52.32 H new ATOM 0 HB2 GLU A 77 4.062 7.227 -5.687 1.00 64.43 H new ATOM 0 HB3 GLU A 77 4.581 8.645 -6.575 1.00 64.43 H new ATOM 0 HG2 GLU A 77 2.454 8.698 -4.403 1.00 53.32 H new ATOM 0 HG3 GLU A 77 4.152 9.015 -4.112 1.00 53.32 H new ATOM 1215 N LYS A 78 2.877 6.070 -8.562 1.00 34.40 N ATOM 1216 CA LYS A 78 3.324 5.372 -9.777 1.00 64.42 C ATOM 1217 C LYS A 78 2.197 5.319 -10.826 1.00 33.21 C ATOM 1218 O LYS A 78 2.384 5.714 -11.977 1.00 70.12 O ATOM 1219 CB LYS A 78 3.800 3.945 -9.412 1.00 52.51 C ATOM 1220 CG LYS A 78 4.537 3.187 -10.529 1.00 73.44 C ATOM 1221 CD LYS A 78 3.595 2.654 -11.610 1.00 15.23 C ATOM 1222 CE LYS A 78 4.338 1.894 -12.705 1.00 44.13 C ATOM 1223 NZ LYS A 78 4.902 0.603 -12.221 1.00 72.25 N ATOM 0 H LYS A 78 2.369 5.480 -7.903 1.00 34.40 H new ATOM 0 HA LYS A 78 4.157 5.923 -10.213 1.00 64.42 H new ATOM 0 HB2 LYS A 78 4.458 4.011 -8.546 1.00 52.51 H new ATOM 0 HB3 LYS A 78 2.933 3.358 -9.109 1.00 52.51 H new ATOM 0 HG2 LYS A 78 5.270 3.850 -10.988 1.00 73.44 H new ATOM 0 HG3 LYS A 78 5.089 2.354 -10.093 1.00 73.44 H new ATOM 0 HD2 LYS A 78 2.856 1.996 -11.152 1.00 15.23 H new ATOM 0 HD3 LYS A 78 3.049 3.486 -12.055 1.00 15.23 H new ATOM 0 HE2 LYS A 78 3.658 1.701 -13.535 1.00 44.13 H new ATOM 0 HE3 LYS A 78 5.144 2.517 -13.092 1.00 44.13 H new ATOM 0 HZ1 LYS A 78 5.831 0.444 -12.660 1.00 72.25 H new ATOM 0 HZ2 LYS A 78 5.008 0.637 -11.187 1.00 72.25 H new ATOM 0 HZ3 LYS A 78 4.260 -0.174 -12.478 1.00 72.25 H new ATOM 1237 N LEU A 79 1.032 4.821 -10.417 1.00 64.31 N ATOM 1238 CA LEU A 79 -0.090 4.594 -11.338 1.00 51.54 C ATOM 1239 C LEU A 79 -0.923 5.865 -11.579 1.00 72.31 C ATOM 1240 O LEU A 79 -1.507 6.040 -12.652 1.00 12.35 O ATOM 1241 CB LEU A 79 -0.990 3.476 -10.792 1.00 72.31 C ATOM 1242 CG LEU A 79 -0.314 2.104 -10.633 1.00 41.30 C ATOM 1243 CD1 LEU A 79 -1.289 1.085 -10.052 1.00 22.21 C ATOM 1244 CD2 LEU A 79 0.238 1.619 -11.972 1.00 45.31 C ATOM 0 H LEU A 79 0.836 4.564 -9.450 1.00 64.31 H new ATOM 0 HA LEU A 79 0.333 4.300 -12.299 1.00 51.54 H new ATOM 0 HB2 LEU A 79 -1.377 3.786 -9.821 1.00 72.31 H new ATOM 0 HB3 LEU A 79 -1.847 3.365 -11.457 1.00 72.31 H new ATOM 0 HG LEU A 79 0.518 2.212 -9.938 1.00 41.30 H new ATOM 0 HD11 LEU A 79 -0.790 0.122 -9.948 1.00 22.21 H new ATOM 0 HD12 LEU A 79 -1.630 1.424 -9.074 1.00 22.21 H new ATOM 0 HD13 LEU A 79 -2.145 0.980 -10.718 1.00 22.21 H new ATOM 0 HD21 LEU A 79 0.713 0.647 -11.839 1.00 45.31 H new ATOM 0 HD22 LEU A 79 -0.577 1.530 -12.691 1.00 45.31 H new ATOM 0 HD23 LEU A 79 0.973 2.334 -12.343 1.00 45.31 H new ATOM 1256 N PHE A 80 -0.989 6.741 -10.580 1.00 52.04 N ATOM 1257 CA PHE A 80 -1.780 7.978 -10.674 1.00 61.22 C ATOM 1258 C PHE A 80 -1.006 9.182 -10.096 1.00 62.20 C ATOM 1259 O PHE A 80 -1.451 9.804 -9.130 1.00 24.13 O ATOM 1260 CB PHE A 80 -3.112 7.815 -9.913 1.00 40.12 C ATOM 1261 CG PHE A 80 -3.877 6.554 -10.250 1.00 34.32 C ATOM 1262 CD1 PHE A 80 -4.677 6.484 -11.383 1.00 64.12 C ATOM 1263 CD2 PHE A 80 -3.795 5.438 -9.427 1.00 34.12 C ATOM 1264 CE1 PHE A 80 -5.375 5.330 -11.688 1.00 44.32 C ATOM 1265 CE2 PHE A 80 -4.491 4.282 -9.728 1.00 11.05 C ATOM 1266 CZ PHE A 80 -5.282 4.229 -10.860 1.00 10.15 C ATOM 0 H PHE A 80 -0.504 6.622 -9.690 1.00 52.04 H new ATOM 0 HA PHE A 80 -1.979 8.166 -11.729 1.00 61.22 H new ATOM 0 HB2 PHE A 80 -2.908 7.826 -8.842 1.00 40.12 H new ATOM 0 HB3 PHE A 80 -3.745 8.677 -10.125 1.00 40.12 H new ATOM 0 HD1 PHE A 80 -4.755 7.342 -12.034 1.00 64.12 H new ATOM 0 HD2 PHE A 80 -3.179 5.474 -8.540 1.00 34.12 H new ATOM 0 HE1 PHE A 80 -5.992 5.290 -12.573 1.00 44.32 H new ATOM 0 HE2 PHE A 80 -4.417 3.422 -9.079 1.00 11.05 H new ATOM 0 HZ PHE A 80 -5.827 3.327 -11.097 1.00 10.15 H new