USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 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 62 SER OG : rot 180:sc= 0.048 USER MOD Set 1.2: A 63 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.2!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.272 K(o=0.64,f=-2.2!) USER MOD Set 2.2: A 32 TYR OH : rot 28:sc= 0.371 USER MOD Single : A 18 ASN : amide:sc= 0.088 K(o=0.088,f=-4.3!) USER MOD Single : A 21 MET CE :methyl -179:sc= -0.408 (180deg=-0.415) USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.238 (180deg=-0.695) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0422) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -170:sc= -0.281 (180deg=-0.489) USER MOD Single : A 55 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.18) USER MOD Single : A 58 GLN : amide:sc= 0.536 K(o=0.54,f=-0.65) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0348) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.276 9.978 1.803 1.00 65.44 N ATOM 284 CA ASN A 18 -6.420 8.937 2.401 1.00 32.43 C ATOM 285 C ASN A 18 -5.928 7.942 1.330 1.00 62.45 C ATOM 286 O ASN A 18 -6.729 7.351 0.607 1.00 4.32 O ATOM 287 CB ASN A 18 -7.159 8.192 3.523 1.00 61.12 C ATOM 288 CG ASN A 18 -6.332 7.065 4.117 1.00 23.24 C ATOM 289 OD1 ASN A 18 -6.384 5.927 3.656 1.00 51.31 O ATOM 290 ND2 ASN A 18 -5.554 7.370 5.135 1.00 11.41 N ATOM 0 HA ASN A 18 -5.551 9.433 2.833 1.00 32.43 H new ATOM 0 HB2 ASN A 18 -7.424 8.898 4.310 1.00 61.12 H new ATOM 0 HB3 ASN A 18 -8.092 7.786 3.132 1.00 61.12 H new ATOM 0 HD21 ASN A 18 -4.971 6.652 5.565 1.00 11.41 H new ATOM 0 HD22 ASN A 18 -5.534 8.325 5.494 1.00 11.41 H new ATOM 297 N PRO A 19 -4.603 7.723 1.229 1.00 50.21 N ATOM 298 CA PRO A 19 -4.021 6.887 0.161 1.00 55.13 C ATOM 299 C PRO A 19 -4.649 5.487 0.060 1.00 2.02 C ATOM 300 O PRO A 19 -4.959 5.022 -1.033 1.00 70.22 O ATOM 301 CB PRO A 19 -2.529 6.793 0.541 1.00 54.24 C ATOM 302 CG PRO A 19 -2.450 7.260 1.961 1.00 65.22 C ATOM 303 CD PRO A 19 -3.567 8.251 2.131 1.00 31.41 C ATOM 0 HA PRO A 19 -4.200 7.326 -0.820 1.00 55.13 H new ATOM 0 HB2 PRO A 19 -2.162 5.771 0.443 1.00 54.24 H new ATOM 0 HB3 PRO A 19 -1.917 7.416 -0.112 1.00 54.24 H new ATOM 0 HG2 PRO A 19 -2.560 6.425 2.653 1.00 65.22 H new ATOM 0 HG3 PRO A 19 -1.484 7.721 2.168 1.00 65.22 H new ATOM 0 HD2 PRO A 19 -3.914 8.298 3.163 1.00 31.41 H new ATOM 0 HD3 PRO A 19 -3.261 9.259 1.851 1.00 31.41 H new ATOM 311 N VAL A 20 -4.849 4.829 1.200 1.00 53.41 N ATOM 312 CA VAL A 20 -5.405 3.467 1.222 1.00 45.40 C ATOM 313 C VAL A 20 -6.852 3.433 0.699 1.00 40.00 C ATOM 314 O VAL A 20 -7.182 2.678 -0.218 1.00 64.42 O ATOM 315 CB VAL A 20 -5.381 2.871 2.653 1.00 53.11 C ATOM 316 CG1 VAL A 20 -5.924 1.441 2.661 1.00 11.33 C ATOM 317 CG2 VAL A 20 -3.970 2.915 3.234 1.00 42.33 C ATOM 0 H VAL A 20 -4.637 5.211 2.122 1.00 53.41 H new ATOM 0 HA VAL A 20 -4.774 2.868 0.566 1.00 45.40 H new ATOM 0 HB VAL A 20 -6.029 3.481 3.282 1.00 53.11 H new ATOM 0 HG11 VAL A 20 -5.896 1.047 3.677 1.00 11.33 H new ATOM 0 HG12 VAL A 20 -6.952 1.440 2.300 1.00 11.33 H new ATOM 0 HG13 VAL A 20 -5.311 0.815 2.012 1.00 11.33 H new ATOM 0 HG21 VAL A 20 -3.977 2.492 4.238 1.00 42.33 H new ATOM 0 HG22 VAL A 20 -3.298 2.336 2.601 1.00 42.33 H new ATOM 0 HG23 VAL A 20 -3.627 3.949 3.278 1.00 42.33 H new ATOM 327 N MET A 21 -7.710 4.262 1.287 1.00 12.43 N ATOM 328 CA MET A 21 -9.136 4.266 0.947 1.00 72.42 C ATOM 329 C MET A 21 -9.395 4.860 -0.449 1.00 21.32 C ATOM 330 O MET A 21 -10.357 4.480 -1.117 1.00 31.05 O ATOM 331 CB MET A 21 -9.934 5.015 2.023 1.00 34.34 C ATOM 332 CG MET A 21 -9.791 4.397 3.413 1.00 20.34 C ATOM 333 SD MET A 21 -10.859 5.164 4.654 1.00 24.04 S ATOM 334 CE MET A 21 -10.249 6.850 4.644 1.00 44.25 C ATOM 0 H MET A 21 -7.446 4.941 2.001 1.00 12.43 H new ATOM 0 HA MET A 21 -9.474 3.230 0.916 1.00 72.42 H new ATOM 0 HB2 MET A 21 -9.602 6.053 2.057 1.00 34.34 H new ATOM 0 HB3 MET A 21 -10.988 5.027 1.744 1.00 34.34 H new ATOM 0 HG2 MET A 21 -10.021 3.333 3.355 1.00 20.34 H new ATOM 0 HG3 MET A 21 -8.753 4.482 3.735 1.00 20.34 H new ATOM 0 HE1 MET A 21 -10.801 7.441 5.375 1.00 44.25 H new ATOM 0 HE2 MET A 21 -9.189 6.855 4.899 1.00 44.25 H new ATOM 0 HE3 MET A 21 -10.385 7.280 3.652 1.00 44.25 H new ATOM 344 N GLU A 22 -8.536 5.782 -0.889 1.00 44.23 N ATOM 345 CA GLU A 22 -8.619 6.314 -2.256 1.00 32.45 C ATOM 346 C GLU A 22 -8.174 5.261 -3.279 1.00 45.54 C ATOM 347 O GLU A 22 -8.885 4.976 -4.245 1.00 72.32 O ATOM 348 CB GLU A 22 -7.772 7.587 -2.415 1.00 44.10 C ATOM 349 CG GLU A 22 -7.777 8.142 -3.842 1.00 72.22 C ATOM 350 CD GLU A 22 -7.409 9.617 -3.922 1.00 33.11 C ATOM 351 OE1 GLU A 22 -6.340 10.005 -3.407 1.00 75.00 O ATOM 352 OE2 GLU A 22 -8.199 10.402 -4.497 1.00 52.45 O ATOM 0 H GLU A 22 -7.781 6.174 -0.327 1.00 44.23 H new ATOM 0 HA GLU A 22 -9.662 6.570 -2.442 1.00 32.45 H new ATOM 0 HB2 GLU A 22 -8.146 8.351 -1.734 1.00 44.10 H new ATOM 0 HB3 GLU A 22 -6.745 7.371 -2.120 1.00 44.10 H new ATOM 0 HG2 GLU A 22 -7.077 7.568 -4.449 1.00 72.22 H new ATOM 0 HG3 GLU A 22 -8.767 7.999 -4.275 1.00 72.22 H new ATOM 359 N LEU A 23 -6.996 4.680 -3.051 1.00 15.33 N ATOM 360 CA LEU A 23 -6.462 3.622 -3.915 1.00 11.13 C ATOM 361 C LEU A 23 -7.477 2.482 -4.088 1.00 31.55 C ATOM 362 O LEU A 23 -7.712 2.004 -5.200 1.00 72.44 O ATOM 363 CB LEU A 23 -5.154 3.083 -3.319 1.00 61.24 C ATOM 364 CG LEU A 23 -4.429 2.014 -4.147 1.00 31.20 C ATOM 365 CD1 LEU A 23 -4.044 2.551 -5.522 1.00 24.14 C ATOM 366 CD2 LEU A 23 -3.200 1.511 -3.398 1.00 72.53 C ATOM 0 H LEU A 23 -6.388 4.925 -2.270 1.00 15.33 H new ATOM 0 HA LEU A 23 -6.265 4.046 -4.900 1.00 11.13 H new ATOM 0 HB2 LEU A 23 -4.474 3.921 -3.169 1.00 61.24 H new ATOM 0 HB3 LEU A 23 -5.370 2.667 -2.335 1.00 61.24 H new ATOM 0 HG LEU A 23 -5.111 1.177 -4.298 1.00 31.20 H new ATOM 0 HD11 LEU A 23 -3.532 1.772 -6.087 1.00 24.14 H new ATOM 0 HD12 LEU A 23 -4.943 2.856 -6.058 1.00 24.14 H new ATOM 0 HD13 LEU A 23 -3.382 3.409 -5.405 1.00 24.14 H new ATOM 0 HD21 LEU A 23 -2.694 0.753 -3.996 1.00 72.53 H new ATOM 0 HD22 LEU A 23 -2.519 2.343 -3.216 1.00 72.53 H new ATOM 0 HD23 LEU A 23 -3.506 1.077 -2.446 1.00 72.53 H new ATOM 378 N ASN A 24 -8.094 2.074 -2.979 1.00 23.22 N ATOM 379 CA ASN A 24 -9.138 1.039 -2.991 1.00 3.52 C ATOM 380 C ASN A 24 -10.309 1.401 -3.930 1.00 50.42 C ATOM 381 O ASN A 24 -10.991 0.516 -4.453 1.00 12.33 O ATOM 382 CB ASN A 24 -9.654 0.799 -1.562 1.00 74.05 C ATOM 383 CG ASN A 24 -8.688 -0.023 -0.723 1.00 33.43 C ATOM 384 OD1 ASN A 24 -7.967 -0.871 -1.236 1.00 75.25 O ATOM 385 ND2 ASN A 24 -8.672 0.212 0.571 1.00 30.23 N ATOM 0 H ASN A 24 -7.889 2.446 -2.052 1.00 23.22 H new ATOM 0 HA ASN A 24 -8.689 0.123 -3.376 1.00 3.52 H new ATOM 0 HB2 ASN A 24 -9.826 1.759 -1.076 1.00 74.05 H new ATOM 0 HB3 ASN A 24 -10.616 0.288 -1.608 1.00 74.05 H new ATOM 0 HD21 ASN A 24 -8.047 -0.318 1.178 1.00 30.23 H new ATOM 0 HD22 ASN A 24 -9.284 0.925 0.968 1.00 30.23 H new ATOM 392 N GLU A 25 -10.542 2.700 -4.141 1.00 43.34 N ATOM 393 CA GLU A 25 -11.612 3.160 -5.041 1.00 10.12 C ATOM 394 C GLU A 25 -11.097 3.399 -6.471 1.00 41.14 C ATOM 395 O GLU A 25 -11.885 3.515 -7.411 1.00 42.10 O ATOM 396 CB GLU A 25 -12.261 4.444 -4.508 1.00 1.31 C ATOM 397 CG GLU A 25 -12.869 4.302 -3.116 1.00 33.22 C ATOM 398 CD GLU A 25 -13.692 5.515 -2.708 1.00 12.31 C ATOM 399 OE1 GLU A 25 -13.100 6.576 -2.423 1.00 34.21 O ATOM 400 OE2 GLU A 25 -14.939 5.410 -2.660 1.00 13.35 O ATOM 0 H GLU A 25 -10.008 3.451 -3.704 1.00 43.34 H new ATOM 0 HA GLU A 25 -12.358 2.366 -5.075 1.00 10.12 H new ATOM 0 HB2 GLU A 25 -11.512 5.235 -4.487 1.00 1.31 H new ATOM 0 HB3 GLU A 25 -13.039 4.760 -5.202 1.00 1.31 H new ATOM 0 HG2 GLU A 25 -13.500 3.414 -3.089 1.00 33.22 H new ATOM 0 HG3 GLU A 25 -12.071 4.148 -2.389 1.00 33.22 H new ATOM 407 N LYS A 26 -9.776 3.499 -6.636 1.00 50.32 N ATOM 408 CA LYS A 26 -9.177 3.647 -7.973 1.00 73.22 C ATOM 409 C LYS A 26 -8.975 2.275 -8.638 1.00 20.50 C ATOM 410 O LYS A 26 -9.055 2.139 -9.861 1.00 53.24 O ATOM 411 CB LYS A 26 -7.834 4.392 -7.896 1.00 40.24 C ATOM 412 CG LYS A 26 -7.901 5.742 -7.185 1.00 52.14 C ATOM 413 CD LYS A 26 -8.904 6.717 -7.818 1.00 52.55 C ATOM 414 CE LYS A 26 -8.537 7.108 -9.254 1.00 2.51 C ATOM 415 NZ LYS A 26 -9.121 6.187 -10.268 1.00 53.13 N ATOM 0 H LYS A 26 -9.102 3.481 -5.871 1.00 50.32 H new ATOM 0 HA LYS A 26 -9.867 4.233 -8.580 1.00 73.22 H new ATOM 0 HB2 LYS A 26 -7.111 3.760 -7.381 1.00 40.24 H new ATOM 0 HB3 LYS A 26 -7.459 4.546 -8.908 1.00 40.24 H new ATOM 0 HG2 LYS A 26 -8.171 5.581 -6.141 1.00 52.14 H new ATOM 0 HG3 LYS A 26 -6.910 6.197 -7.191 1.00 52.14 H new ATOM 0 HD2 LYS A 26 -9.895 6.263 -7.813 1.00 52.55 H new ATOM 0 HD3 LYS A 26 -8.962 7.617 -7.206 1.00 52.55 H new ATOM 0 HE2 LYS A 26 -8.883 8.123 -9.449 1.00 2.51 H new ATOM 0 HE3 LYS A 26 -7.452 7.115 -9.358 1.00 2.51 H new ATOM 0 HZ1 LYS A 26 -9.282 6.705 -11.155 1.00 53.13 H new ATOM 0 HZ2 LYS A 26 -8.464 5.399 -10.441 1.00 53.13 H new ATOM 0 HZ3 LYS A 26 -10.026 5.813 -9.917 1.00 53.13 H new ATOM 429 N ARG A 27 -8.693 1.268 -7.814 1.00 14.25 N ATOM 430 CA ARG A 27 -8.564 -0.121 -8.266 1.00 73.11 C ATOM 431 C ARG A 27 -9.329 -1.064 -7.320 1.00 4.41 C ATOM 432 O ARG A 27 -8.975 -1.206 -6.148 1.00 11.45 O ATOM 433 CB ARG A 27 -7.082 -0.535 -8.332 1.00 21.41 C ATOM 434 CG ARG A 27 -6.285 0.118 -9.460 1.00 34.34 C ATOM 435 CD ARG A 27 -6.808 -0.288 -10.836 1.00 73.05 C ATOM 436 NE ARG A 27 -5.895 0.094 -11.914 1.00 73.41 N ATOM 437 CZ ARG A 27 -6.174 0.966 -12.842 1.00 71.21 C ATOM 438 NH1 ARG A 27 -7.282 1.640 -12.808 1.00 20.13 N ATOM 439 NH2 ARG A 27 -5.327 1.174 -13.794 1.00 21.43 N ATOM 0 H ARG A 27 -8.547 1.389 -6.812 1.00 14.25 H new ATOM 0 HA ARG A 27 -8.993 -0.196 -9.265 1.00 73.11 H new ATOM 0 HB2 ARG A 27 -6.608 -0.290 -7.382 1.00 21.41 H new ATOM 0 HB3 ARG A 27 -7.026 -1.618 -8.446 1.00 21.41 H new ATOM 0 HG2 ARG A 27 -6.334 1.202 -9.359 1.00 34.34 H new ATOM 0 HG3 ARG A 27 -5.236 -0.163 -9.373 1.00 34.34 H new ATOM 0 HD2 ARG A 27 -6.962 -1.367 -10.859 1.00 73.05 H new ATOM 0 HD3 ARG A 27 -7.779 0.177 -11.004 1.00 73.05 H new ATOM 0 HE ARG A 27 -4.978 -0.352 -11.941 1.00 73.41 H new ATOM 0 HH11 ARG A 27 -7.947 1.491 -12.049 1.00 20.13 H new ATOM 0 HH12 ARG A 27 -7.488 2.319 -13.540 1.00 20.13 H new ATOM 0 HH21 ARG A 27 -4.448 0.658 -13.816 1.00 21.43 H new ATOM 0 HH22 ARG A 27 -5.537 1.854 -14.524 1.00 21.43 H new ATOM 453 N ARG A 28 -10.380 -1.703 -7.827 1.00 41.41 N ATOM 454 CA ARG A 28 -11.192 -2.619 -7.017 1.00 34.05 C ATOM 455 C ARG A 28 -10.631 -4.050 -7.075 1.00 45.14 C ATOM 456 O ARG A 28 -10.444 -4.607 -8.157 1.00 11.11 O ATOM 457 CB ARG A 28 -12.659 -2.615 -7.485 1.00 71.04 C ATOM 458 CG ARG A 28 -13.363 -1.259 -7.373 1.00 12.53 C ATOM 459 CD ARG A 28 -12.896 -0.268 -8.435 1.00 24.11 C ATOM 460 NE ARG A 28 -13.648 0.981 -8.403 1.00 65.13 N ATOM 461 CZ ARG A 28 -13.567 1.905 -9.321 1.00 60.20 C ATOM 462 NH1 ARG A 28 -12.763 1.770 -10.327 1.00 4.52 N ATOM 463 NH2 ARG A 28 -14.285 2.971 -9.225 1.00 13.11 N ATOM 0 H ARG A 28 -10.692 -1.606 -8.793 1.00 41.41 H new ATOM 0 HA ARG A 28 -11.152 -2.268 -5.986 1.00 34.05 H new ATOM 0 HB2 ARG A 28 -12.696 -2.943 -8.524 1.00 71.04 H new ATOM 0 HB3 ARG A 28 -13.215 -3.347 -6.899 1.00 71.04 H new ATOM 0 HG2 ARG A 28 -14.440 -1.404 -7.464 1.00 12.53 H new ATOM 0 HG3 ARG A 28 -13.180 -0.839 -6.384 1.00 12.53 H new ATOM 0 HD2 ARG A 28 -11.837 -0.055 -8.288 1.00 24.11 H new ATOM 0 HD3 ARG A 28 -12.995 -0.723 -9.421 1.00 24.11 H new ATOM 0 HE ARG A 28 -14.275 1.142 -7.615 1.00 65.13 H new ATOM 0 HH11 ARG A 28 -12.184 0.934 -10.408 1.00 4.52 H new ATOM 0 HH12 ARG A 28 -12.709 2.499 -11.038 1.00 4.52 H new ATOM 0 HH21 ARG A 28 -14.915 3.092 -8.432 1.00 13.11 H new ATOM 0 HH22 ARG A 28 -14.223 3.694 -9.942 1.00 13.11 H new ATOM 477 N GLY A 29 -10.372 -4.637 -5.906 1.00 71.04 N ATOM 478 CA GLY A 29 -9.811 -5.986 -5.841 1.00 14.05 C ATOM 479 C GLY A 29 -8.312 -6.000 -5.540 1.00 23.24 C ATOM 480 O GLY A 29 -7.552 -6.751 -6.154 1.00 30.41 O ATOM 0 H GLY A 29 -10.540 -4.203 -4.998 1.00 71.04 H new ATOM 0 HA2 GLY A 29 -10.335 -6.554 -5.072 1.00 14.05 H new ATOM 0 HA3 GLY A 29 -9.990 -6.493 -6.789 1.00 14.05 H new ATOM 484 N LEU A 30 -7.886 -5.173 -4.586 1.00 71.31 N ATOM 485 CA LEU A 30 -6.466 -5.077 -4.217 1.00 42.33 C ATOM 486 C LEU A 30 -6.071 -6.083 -3.122 1.00 45.21 C ATOM 487 O LEU A 30 -6.921 -6.630 -2.415 1.00 43.43 O ATOM 488 CB LEU A 30 -6.135 -3.657 -3.744 1.00 65.50 C ATOM 489 CG LEU A 30 -6.413 -2.548 -4.766 1.00 53.40 C ATOM 490 CD1 LEU A 30 -6.040 -1.183 -4.199 1.00 71.03 C ATOM 491 CD2 LEU A 30 -5.669 -2.814 -6.070 1.00 2.54 C ATOM 0 H LEU A 30 -8.500 -4.558 -4.052 1.00 71.31 H new ATOM 0 HA LEU A 30 -5.892 -5.318 -5.112 1.00 42.33 H new ATOM 0 HB2 LEU A 30 -6.709 -3.449 -2.841 1.00 65.50 H new ATOM 0 HB3 LEU A 30 -5.081 -3.619 -3.468 1.00 65.50 H new ATOM 0 HG LEU A 30 -7.482 -2.545 -4.980 1.00 53.40 H new ATOM 0 HD11 LEU A 30 -6.246 -0.412 -4.942 1.00 71.03 H new ATOM 0 HD12 LEU A 30 -6.628 -0.989 -3.302 1.00 71.03 H new ATOM 0 HD13 LEU A 30 -4.979 -1.171 -3.948 1.00 71.03 H new ATOM 0 HD21 LEU A 30 -5.881 -2.014 -6.780 1.00 2.54 H new ATOM 0 HD22 LEU A 30 -4.597 -2.852 -5.876 1.00 2.54 H new ATOM 0 HD23 LEU A 30 -5.996 -3.766 -6.488 1.00 2.54 H new ATOM 503 N LYS A 31 -4.765 -6.301 -2.985 1.00 23.22 N ATOM 504 CA LYS A 31 -4.211 -7.221 -1.981 1.00 73.32 C ATOM 505 C LYS A 31 -3.267 -6.491 -1.013 1.00 3.31 C ATOM 506 O LYS A 31 -2.195 -6.047 -1.411 1.00 32.34 O ATOM 507 CB LYS A 31 -3.441 -8.351 -2.681 1.00 2.42 C ATOM 508 CG LYS A 31 -2.660 -9.258 -1.729 1.00 20.22 C ATOM 509 CD LYS A 31 -1.673 -10.155 -2.476 1.00 33.01 C ATOM 510 CE LYS A 31 -2.364 -11.080 -3.471 1.00 32.33 C ATOM 511 NZ LYS A 31 -3.272 -12.045 -2.797 1.00 61.54 N ATOM 0 H LYS A 31 -4.058 -5.848 -3.564 1.00 23.22 H new ATOM 0 HA LYS A 31 -5.042 -7.632 -1.409 1.00 73.32 H new ATOM 0 HB2 LYS A 31 -4.146 -8.959 -3.248 1.00 2.42 H new ATOM 0 HB3 LYS A 31 -2.748 -7.913 -3.399 1.00 2.42 H new ATOM 0 HG2 LYS A 31 -2.119 -8.646 -1.007 1.00 20.22 H new ATOM 0 HG3 LYS A 31 -3.357 -9.877 -1.164 1.00 20.22 H new ATOM 0 HD2 LYS A 31 -0.950 -9.533 -3.004 1.00 33.01 H new ATOM 0 HD3 LYS A 31 -1.114 -10.753 -1.756 1.00 33.01 H new ATOM 0 HE2 LYS A 31 -2.933 -10.484 -4.185 1.00 32.33 H new ATOM 0 HE3 LYS A 31 -1.612 -11.627 -4.040 1.00 32.33 H new ATOM 0 HZ1 LYS A 31 -3.629 -12.730 -3.493 1.00 61.54 H new ATOM 0 HZ2 LYS A 31 -2.751 -12.549 -2.051 1.00 61.54 H new ATOM 0 HZ3 LYS A 31 -4.072 -11.532 -2.374 1.00 61.54 H new ATOM 525 N TYR A 32 -3.666 -6.367 0.251 1.00 50.02 N ATOM 526 CA TYR A 32 -2.804 -5.769 1.285 1.00 75.01 C ATOM 527 C TYR A 32 -2.320 -6.834 2.286 1.00 11.05 C ATOM 528 O TYR A 32 -3.126 -7.418 3.014 1.00 0.23 O ATOM 529 CB TYR A 32 -3.562 -4.670 2.053 1.00 75.01 C ATOM 530 CG TYR A 32 -3.967 -3.465 1.220 1.00 43.20 C ATOM 531 CD1 TYR A 32 -5.037 -3.532 0.332 1.00 40.10 C ATOM 532 CD2 TYR A 32 -3.287 -2.255 1.329 1.00 30.12 C ATOM 533 CE1 TYR A 32 -5.414 -2.432 -0.416 1.00 43.23 C ATOM 534 CE2 TYR A 32 -3.661 -1.151 0.586 1.00 54.34 C ATOM 535 CZ TYR A 32 -4.724 -1.245 -0.286 1.00 14.31 C ATOM 536 OH TYR A 32 -5.101 -0.150 -1.030 1.00 44.43 O ATOM 0 H TYR A 32 -4.579 -6.670 0.590 1.00 50.02 H new ATOM 0 HA TYR A 32 -1.941 -5.335 0.780 1.00 75.01 H new ATOM 0 HB2 TYR A 32 -4.459 -5.107 2.491 1.00 75.01 H new ATOM 0 HB3 TYR A 32 -2.938 -4.328 2.879 1.00 75.01 H new ATOM 0 HD1 TYR A 32 -5.582 -4.459 0.226 1.00 40.10 H new ATOM 0 HD2 TYR A 32 -2.450 -2.177 2.008 1.00 30.12 H new ATOM 0 HE1 TYR A 32 -6.247 -2.502 -1.100 1.00 43.23 H new ATOM 0 HE2 TYR A 32 -3.123 -0.220 0.688 1.00 54.34 H new ATOM 0 HH TYR A 32 -6.058 -0.206 -1.232 1.00 44.43 H new ATOM 546 N GLU A 33 -1.011 -7.094 2.329 1.00 71.42 N ATOM 547 CA GLU A 33 -0.451 -8.027 3.322 1.00 73.15 C ATOM 548 C GLU A 33 0.828 -7.477 3.977 1.00 23.05 C ATOM 549 O GLU A 33 1.409 -6.489 3.522 1.00 30.44 O ATOM 550 CB GLU A 33 -0.169 -9.405 2.700 1.00 63.03 C ATOM 551 CG GLU A 33 0.967 -9.423 1.681 1.00 53.11 C ATOM 552 CD GLU A 33 1.311 -10.838 1.237 1.00 70.15 C ATOM 553 OE1 GLU A 33 0.635 -11.370 0.330 1.00 53.12 O ATOM 554 OE2 GLU A 33 2.241 -11.442 1.822 1.00 31.12 O ATOM 0 H GLU A 33 -0.323 -6.680 1.699 1.00 71.42 H new ATOM 0 HA GLU A 33 -1.207 -8.140 4.099 1.00 73.15 H new ATOM 0 HB2 GLU A 33 0.066 -10.108 3.499 1.00 63.03 H new ATOM 0 HB3 GLU A 33 -1.078 -9.764 2.217 1.00 63.03 H new ATOM 0 HG2 GLU A 33 0.684 -8.829 0.812 1.00 53.11 H new ATOM 0 HG3 GLU A 33 1.850 -8.954 2.114 1.00 53.11 H new ATOM 561 N LEU A 34 1.256 -8.133 5.052 1.00 75.30 N ATOM 562 CA LEU A 34 2.421 -7.699 5.832 1.00 1.24 C ATOM 563 C LEU A 34 3.719 -8.361 5.338 1.00 74.45 C ATOM 564 O LEU A 34 3.743 -9.552 5.011 1.00 12.33 O ATOM 565 CB LEU A 34 2.199 -8.028 7.317 1.00 60.15 C ATOM 566 CG LEU A 34 3.335 -7.622 8.277 1.00 44.33 C ATOM 567 CD1 LEU A 34 3.530 -6.110 8.286 1.00 3.02 C ATOM 568 CD2 LEU A 34 3.055 -8.136 9.689 1.00 24.24 C ATOM 0 H LEU A 34 0.810 -8.978 5.409 1.00 75.30 H new ATOM 0 HA LEU A 34 2.529 -6.622 5.702 1.00 1.24 H new ATOM 0 HB2 LEU A 34 1.282 -7.538 7.644 1.00 60.15 H new ATOM 0 HB3 LEU A 34 2.038 -9.102 7.410 1.00 60.15 H new ATOM 0 HG LEU A 34 4.258 -8.079 7.919 1.00 44.33 H new ATOM 0 HD11 LEU A 34 4.337 -5.851 8.971 1.00 3.02 H new ATOM 0 HD12 LEU A 34 3.783 -5.770 7.282 1.00 3.02 H new ATOM 0 HD13 LEU A 34 2.609 -5.626 8.611 1.00 3.02 H new ATOM 0 HD21 LEU A 34 3.868 -7.840 10.352 1.00 24.24 H new ATOM 0 HD22 LEU A 34 2.118 -7.712 10.051 1.00 24.24 H new ATOM 0 HD23 LEU A 34 2.979 -9.223 9.672 1.00 24.24 H new ATOM 580 N ILE A 35 4.792 -7.576 5.291 1.00 63.01 N ATOM 581 CA ILE A 35 6.111 -8.073 4.882 1.00 42.20 C ATOM 582 C ILE A 35 7.068 -8.189 6.087 1.00 3.55 C ATOM 583 O ILE A 35 7.674 -9.236 6.312 1.00 51.51 O ATOM 584 CB ILE A 35 6.751 -7.152 3.807 1.00 22.21 C ATOM 585 CG1 ILE A 35 5.805 -6.976 2.608 1.00 22.42 C ATOM 586 CG2 ILE A 35 8.098 -7.710 3.345 1.00 71.01 C ATOM 587 CD1 ILE A 35 5.495 -8.263 1.870 1.00 2.11 C ATOM 0 H ILE A 35 4.777 -6.585 5.532 1.00 63.01 H new ATOM 0 HA ILE A 35 5.957 -9.065 4.456 1.00 42.20 H new ATOM 0 HB ILE A 35 6.921 -6.175 4.259 1.00 22.21 H new ATOM 0 HG12 ILE A 35 4.871 -6.536 2.957 1.00 22.42 H new ATOM 0 HG13 ILE A 35 6.249 -6.267 1.909 1.00 22.42 H new ATOM 0 HG21 ILE A 35 8.527 -7.048 2.592 1.00 71.01 H new ATOM 0 HG22 ILE A 35 8.775 -7.778 4.197 1.00 71.01 H new ATOM 0 HG23 ILE A 35 7.953 -8.702 2.916 1.00 71.01 H new ATOM 0 HD11 ILE A 35 4.822 -8.053 1.039 1.00 2.11 H new ATOM 0 HD12 ILE A 35 6.420 -8.695 1.488 1.00 2.11 H new ATOM 0 HD13 ILE A 35 5.020 -8.968 2.552 1.00 2.11 H new ATOM 599 N SER A 36 7.193 -7.108 6.859 1.00 55.52 N ATOM 600 CA SER A 36 8.106 -7.079 8.019 1.00 61.41 C ATOM 601 C SER A 36 7.458 -6.408 9.241 1.00 13.20 C ATOM 602 O SER A 36 6.690 -5.454 9.105 1.00 41.01 O ATOM 603 CB SER A 36 9.407 -6.344 7.659 1.00 72.54 C ATOM 604 OG SER A 36 10.278 -6.252 8.778 1.00 35.01 O ATOM 0 H SER A 36 6.678 -6.240 6.708 1.00 55.52 H new ATOM 0 HA SER A 36 8.330 -8.114 8.279 1.00 61.41 H new ATOM 0 HB2 SER A 36 9.910 -6.869 6.847 1.00 72.54 H new ATOM 0 HB3 SER A 36 9.173 -5.344 7.295 1.00 72.54 H new ATOM 0 HG SER A 36 11.097 -5.781 8.517 1.00 35.01 H new ATOM 740 N PHE A 46 6.923 -1.199 10.829 1.00 13.13 N ATOM 741 CA PHE A 46 6.112 -2.124 10.022 1.00 25.55 C ATOM 742 C PHE A 46 6.298 -1.869 8.519 1.00 50.40 C ATOM 743 O PHE A 46 6.407 -0.725 8.080 1.00 25.25 O ATOM 744 CB PHE A 46 4.625 -1.980 10.377 1.00 75.41 C ATOM 745 CG PHE A 46 4.277 -2.439 11.770 1.00 3.31 C ATOM 746 CD1 PHE A 46 4.658 -1.698 12.879 1.00 12.34 C ATOM 747 CD2 PHE A 46 3.562 -3.610 11.970 1.00 11.13 C ATOM 748 CE1 PHE A 46 4.335 -2.118 14.155 1.00 32.15 C ATOM 749 CE2 PHE A 46 3.236 -4.031 13.243 1.00 54.23 C ATOM 750 CZ PHE A 46 3.623 -3.283 14.335 1.00 31.14 C ATOM 0 HA PHE A 46 6.449 -3.136 10.248 1.00 25.55 H new ATOM 0 HB2 PHE A 46 4.336 -0.935 10.268 1.00 75.41 H new ATOM 0 HB3 PHE A 46 4.035 -2.550 9.660 1.00 75.41 H new ATOM 0 HD1 PHE A 46 5.214 -0.782 12.743 1.00 12.34 H new ATOM 0 HD2 PHE A 46 3.256 -4.200 11.119 1.00 11.13 H new ATOM 0 HE1 PHE A 46 4.640 -1.533 15.010 1.00 32.15 H new ATOM 0 HE2 PHE A 46 2.678 -4.945 13.384 1.00 54.23 H new ATOM 0 HZ PHE A 46 3.368 -3.611 15.332 1.00 31.14 H new ATOM 760 N VAL A 47 6.324 -2.945 7.737 1.00 25.35 N ATOM 761 CA VAL A 47 6.425 -2.849 6.273 1.00 44.44 C ATOM 762 C VAL A 47 5.302 -3.654 5.599 1.00 25.13 C ATOM 763 O VAL A 47 5.246 -4.878 5.731 1.00 25.41 O ATOM 764 CB VAL A 47 7.796 -3.362 5.759 1.00 35.53 C ATOM 765 CG1 VAL A 47 7.896 -3.226 4.237 1.00 43.34 C ATOM 766 CG2 VAL A 47 8.950 -2.630 6.448 1.00 11.52 C ATOM 0 H VAL A 47 6.277 -3.901 8.090 1.00 25.35 H new ATOM 0 HA VAL A 47 6.328 -1.795 6.014 1.00 44.44 H new ATOM 0 HB VAL A 47 7.872 -4.420 6.009 1.00 35.53 H new ATOM 0 HG11 VAL A 47 8.866 -3.592 3.902 1.00 43.34 H new ATOM 0 HG12 VAL A 47 7.105 -3.811 3.767 1.00 43.34 H new ATOM 0 HG13 VAL A 47 7.788 -2.178 3.957 1.00 43.34 H new ATOM 0 HG21 VAL A 47 9.899 -3.009 6.069 1.00 11.52 H new ATOM 0 HG22 VAL A 47 8.878 -1.562 6.243 1.00 11.52 H new ATOM 0 HG23 VAL A 47 8.896 -2.797 7.524 1.00 11.52 H new ATOM 776 N MET A 48 4.413 -2.961 4.888 1.00 5.44 N ATOM 777 CA MET A 48 3.276 -3.600 4.208 1.00 20.40 C ATOM 778 C MET A 48 3.445 -3.568 2.679 1.00 32.23 C ATOM 779 O MET A 48 4.107 -2.684 2.135 1.00 41.32 O ATOM 780 CB MET A 48 1.969 -2.890 4.592 1.00 43.23 C ATOM 781 CG MET A 48 1.637 -2.951 6.079 1.00 53.23 C ATOM 782 SD MET A 48 1.146 -4.597 6.627 1.00 52.34 S ATOM 783 CE MET A 48 -0.425 -4.793 5.785 1.00 72.10 C ATOM 0 H MET A 48 4.455 -1.949 4.765 1.00 5.44 H new ATOM 0 HA MET A 48 3.240 -4.641 4.528 1.00 20.40 H new ATOM 0 HB2 MET A 48 2.034 -1.845 4.288 1.00 43.23 H new ATOM 0 HB3 MET A 48 1.148 -3.335 4.030 1.00 43.23 H new ATOM 0 HG2 MET A 48 2.506 -2.628 6.653 1.00 53.23 H new ATOM 0 HG3 MET A 48 0.833 -2.248 6.295 1.00 53.23 H new ATOM 0 HE1 MET A 48 -0.932 -5.681 6.163 1.00 72.10 H new ATOM 0 HE2 MET A 48 -1.046 -3.916 5.965 1.00 72.10 H new ATOM 0 HE3 MET A 48 -0.253 -4.901 4.714 1.00 72.10 H new ATOM 793 N GLU A 49 2.837 -4.535 1.994 1.00 23.23 N ATOM 794 CA GLU A 49 2.853 -4.586 0.527 1.00 52.22 C ATOM 795 C GLU A 49 1.428 -4.652 -0.036 1.00 0.13 C ATOM 796 O GLU A 49 0.540 -5.275 0.556 1.00 71.43 O ATOM 797 CB GLU A 49 3.661 -5.799 0.037 1.00 35.14 C ATOM 798 CG GLU A 49 3.771 -5.898 -1.485 1.00 20.41 C ATOM 799 CD GLU A 49 4.604 -7.084 -1.949 1.00 52.14 C ATOM 800 OE1 GLU A 49 5.849 -6.979 -1.955 1.00 13.51 O ATOM 801 OE2 GLU A 49 4.021 -8.118 -2.332 1.00 21.41 O ATOM 0 H GLU A 49 2.323 -5.300 2.432 1.00 23.23 H new ATOM 0 HA GLU A 49 3.328 -3.673 0.168 1.00 52.22 H new ATOM 0 HB2 GLU A 49 4.664 -5.750 0.461 1.00 35.14 H new ATOM 0 HB3 GLU A 49 3.198 -6.709 0.418 1.00 35.14 H new ATOM 0 HG2 GLU A 49 2.771 -5.976 -1.911 1.00 20.41 H new ATOM 0 HG3 GLU A 49 4.212 -4.979 -1.872 1.00 20.41 H new ATOM 808 N VAL A 50 1.216 -4.012 -1.183 1.00 2.44 N ATOM 809 CA VAL A 50 -0.097 -3.999 -1.829 1.00 15.13 C ATOM 810 C VAL A 50 -0.008 -4.321 -3.331 1.00 13.11 C ATOM 811 O VAL A 50 0.805 -3.747 -4.057 1.00 22.33 O ATOM 812 CB VAL A 50 -0.805 -2.633 -1.635 1.00 32.13 C ATOM 813 CG1 VAL A 50 0.037 -1.486 -2.198 1.00 40.43 C ATOM 814 CG2 VAL A 50 -2.196 -2.654 -2.267 1.00 24.45 C ATOM 0 H VAL A 50 1.937 -3.494 -1.686 1.00 2.44 H new ATOM 0 HA VAL A 50 -0.685 -4.780 -1.346 1.00 15.13 H new ATOM 0 HB VAL A 50 -0.919 -2.462 -0.565 1.00 32.13 H new ATOM 0 HG11 VAL A 50 -0.487 -0.542 -2.047 1.00 40.43 H new ATOM 0 HG12 VAL A 50 0.998 -1.454 -1.685 1.00 40.43 H new ATOM 0 HG13 VAL A 50 0.200 -1.644 -3.264 1.00 40.43 H new ATOM 0 HG21 VAL A 50 -2.677 -1.687 -2.120 1.00 24.45 H new ATOM 0 HG22 VAL A 50 -2.108 -2.857 -3.334 1.00 24.45 H new ATOM 0 HG23 VAL A 50 -2.797 -3.433 -1.798 1.00 24.45 H new ATOM 824 N GLU A 51 -0.841 -5.256 -3.788 1.00 32.53 N ATOM 825 CA GLU A 51 -0.943 -5.567 -5.216 1.00 64.52 C ATOM 826 C GLU A 51 -1.949 -4.635 -5.905 1.00 33.22 C ATOM 827 O GLU A 51 -3.161 -4.777 -5.734 1.00 1.23 O ATOM 828 CB GLU A 51 -1.361 -7.028 -5.433 1.00 21.43 C ATOM 829 CG GLU A 51 -1.591 -7.381 -6.903 1.00 75.23 C ATOM 830 CD GLU A 51 -2.083 -8.804 -7.106 1.00 70.15 C ATOM 831 OE1 GLU A 51 -3.274 -9.074 -6.836 1.00 43.34 O ATOM 832 OE2 GLU A 51 -1.284 -9.658 -7.546 1.00 62.25 O ATOM 0 H GLU A 51 -1.455 -5.811 -3.192 1.00 32.53 H new ATOM 0 HA GLU A 51 0.042 -5.415 -5.657 1.00 64.52 H new ATOM 0 HB2 GLU A 51 -0.591 -7.683 -5.026 1.00 21.43 H new ATOM 0 HB3 GLU A 51 -2.275 -7.224 -4.872 1.00 21.43 H new ATOM 0 HG2 GLU A 51 -2.318 -6.688 -7.327 1.00 75.23 H new ATOM 0 HG3 GLU A 51 -0.660 -7.243 -7.453 1.00 75.23 H new ATOM 839 N VAL A 52 -1.438 -3.672 -6.665 1.00 15.20 N ATOM 840 CA VAL A 52 -2.280 -2.738 -7.419 1.00 13.24 C ATOM 841 C VAL A 52 -1.964 -2.799 -8.916 1.00 13.42 C ATOM 842 O VAL A 52 -0.800 -2.733 -9.313 1.00 72.13 O ATOM 843 CB VAL A 52 -2.082 -1.283 -6.930 1.00 55.43 C ATOM 844 CG1 VAL A 52 -3.029 -0.327 -7.653 1.00 20.11 C ATOM 845 CG2 VAL A 52 -2.270 -1.198 -5.423 1.00 74.31 C ATOM 0 H VAL A 52 -0.437 -3.514 -6.778 1.00 15.20 H new ATOM 0 HA VAL A 52 -3.314 -3.038 -7.251 1.00 13.24 H new ATOM 0 HB VAL A 52 -1.062 -0.980 -7.166 1.00 55.43 H new ATOM 0 HG11 VAL A 52 -2.868 0.688 -7.290 1.00 20.11 H new ATOM 0 HG12 VAL A 52 -2.835 -0.364 -8.725 1.00 20.11 H new ATOM 0 HG13 VAL A 52 -4.061 -0.622 -7.461 1.00 20.11 H new ATOM 0 HG21 VAL A 52 -2.127 -0.168 -5.096 1.00 74.31 H new ATOM 0 HG22 VAL A 52 -3.277 -1.525 -5.163 1.00 74.31 H new ATOM 0 HG23 VAL A 52 -1.541 -1.840 -4.929 1.00 74.31 H new ATOM 855 N ASP A 53 -3.002 -2.944 -9.743 1.00 72.04 N ATOM 856 CA ASP A 53 -2.833 -2.962 -11.202 1.00 23.43 C ATOM 857 C ASP A 53 -1.966 -4.165 -11.638 1.00 53.13 C ATOM 858 O ASP A 53 -1.420 -4.193 -12.741 1.00 70.35 O ATOM 859 CB ASP A 53 -2.212 -1.627 -11.658 1.00 74.40 C ATOM 860 CG ASP A 53 -2.454 -1.325 -13.123 1.00 43.13 C ATOM 861 OD1 ASP A 53 -3.587 -0.928 -13.465 1.00 75.44 O ATOM 862 OD2 ASP A 53 -1.524 -1.478 -13.938 1.00 63.44 O ATOM 0 H ASP A 53 -3.967 -3.051 -9.430 1.00 72.04 H new ATOM 0 HA ASP A 53 -3.807 -3.077 -11.678 1.00 23.43 H new ATOM 0 HB2 ASP A 53 -2.623 -0.818 -11.054 1.00 74.40 H new ATOM 0 HB3 ASP A 53 -1.138 -1.651 -11.471 1.00 74.40 H new ATOM 867 N GLY A 54 -1.864 -5.168 -10.759 1.00 45.42 N ATOM 868 CA GLY A 54 -0.999 -6.323 -11.004 1.00 60.13 C ATOM 869 C GLY A 54 0.391 -6.159 -10.388 1.00 72.23 C ATOM 870 O GLY A 54 1.079 -7.141 -10.102 1.00 5.03 O ATOM 0 H GLY A 54 -2.369 -5.202 -9.874 1.00 45.42 H new ATOM 0 HA2 GLY A 54 -1.470 -7.218 -10.596 1.00 60.13 H new ATOM 0 HA3 GLY A 54 -0.900 -6.477 -12.079 1.00 60.13 H new ATOM 874 N GLN A 55 0.782 -4.912 -10.159 1.00 3.10 N ATOM 875 CA GLN A 55 2.109 -4.576 -9.631 1.00 74.12 C ATOM 876 C GLN A 55 2.090 -4.486 -8.093 1.00 33.20 C ATOM 877 O GLN A 55 1.137 -3.978 -7.507 1.00 64.53 O ATOM 878 CB GLN A 55 2.548 -3.234 -10.230 1.00 60.14 C ATOM 879 CG GLN A 55 2.585 -3.221 -11.759 1.00 74.25 C ATOM 880 CD GLN A 55 2.577 -1.813 -12.339 1.00 12.32 C ATOM 881 OE1 GLN A 55 3.620 -1.194 -12.515 1.00 2.54 O ATOM 882 NE2 GLN A 55 1.400 -1.307 -12.660 1.00 13.24 N ATOM 0 H GLN A 55 0.191 -4.099 -10.333 1.00 3.10 H new ATOM 0 HA GLN A 55 2.812 -5.362 -9.907 1.00 74.12 H new ATOM 0 HB2 GLN A 55 1.869 -2.454 -9.886 1.00 60.14 H new ATOM 0 HB3 GLN A 55 3.539 -2.984 -9.850 1.00 60.14 H new ATOM 0 HG2 GLN A 55 3.478 -3.744 -12.100 1.00 74.25 H new ATOM 0 HG3 GLN A 55 1.726 -3.772 -12.143 1.00 74.25 H new ATOM 0 HE21 GLN A 55 0.551 -1.849 -12.500 1.00 13.24 H new ATOM 0 HE22 GLN A 55 1.340 -0.374 -13.068 1.00 13.24 H new ATOM 891 N LYS A 56 3.143 -4.977 -7.440 1.00 61.14 N ATOM 892 CA LYS A 56 3.219 -4.950 -5.971 1.00 34.33 C ATOM 893 C LYS A 56 4.069 -3.770 -5.477 1.00 11.32 C ATOM 894 O LYS A 56 5.182 -3.547 -5.959 1.00 63.01 O ATOM 895 CB LYS A 56 3.791 -6.270 -5.427 1.00 21.02 C ATOM 896 CG LYS A 56 2.878 -7.484 -5.614 1.00 50.44 C ATOM 897 CD LYS A 56 2.738 -7.892 -7.079 1.00 35.53 C ATOM 898 CE LYS A 56 1.823 -9.098 -7.245 1.00 45.32 C ATOM 899 NZ LYS A 56 1.620 -9.454 -8.673 1.00 20.14 N ATOM 0 H LYS A 56 3.953 -5.397 -7.897 1.00 61.14 H new ATOM 0 HA LYS A 56 2.204 -4.824 -5.595 1.00 34.33 H new ATOM 0 HB2 LYS A 56 4.743 -6.468 -5.919 1.00 21.02 H new ATOM 0 HB3 LYS A 56 4.001 -6.149 -4.364 1.00 21.02 H new ATOM 0 HG2 LYS A 56 3.274 -8.324 -5.043 1.00 50.44 H new ATOM 0 HG3 LYS A 56 1.892 -7.259 -5.207 1.00 50.44 H new ATOM 0 HD2 LYS A 56 2.343 -7.054 -7.654 1.00 35.53 H new ATOM 0 HD3 LYS A 56 3.722 -8.123 -7.488 1.00 35.53 H new ATOM 0 HE2 LYS A 56 2.249 -9.951 -6.716 1.00 45.32 H new ATOM 0 HE3 LYS A 56 0.858 -8.887 -6.784 1.00 45.32 H new ATOM 0 HZ1 LYS A 56 0.820 -10.114 -8.756 1.00 20.14 H new ATOM 0 HZ2 LYS A 56 1.417 -8.593 -9.220 1.00 20.14 H new ATOM 0 HZ3 LYS A 56 2.481 -9.905 -9.044 1.00 20.14 H new ATOM 913 N PHE A 57 3.535 -3.014 -4.517 1.00 53.02 N ATOM 914 CA PHE A 57 4.237 -1.855 -3.953 1.00 43.14 C ATOM 915 C PHE A 57 4.342 -1.958 -2.419 1.00 61.32 C ATOM 916 O PHE A 57 3.368 -2.284 -1.745 1.00 30.44 O ATOM 917 CB PHE A 57 3.498 -0.565 -4.336 1.00 51.33 C ATOM 918 CG PHE A 57 3.333 -0.373 -5.825 1.00 51.23 C ATOM 919 CD1 PHE A 57 4.336 0.219 -6.581 1.00 42.34 C ATOM 920 CD2 PHE A 57 2.176 -0.788 -6.470 1.00 62.34 C ATOM 921 CE1 PHE A 57 4.186 0.393 -7.946 1.00 14.31 C ATOM 922 CE2 PHE A 57 2.021 -0.615 -7.834 1.00 73.21 C ATOM 923 CZ PHE A 57 3.028 -0.026 -8.572 1.00 44.32 C ATOM 0 H PHE A 57 2.615 -3.183 -4.111 1.00 53.02 H new ATOM 0 HA PHE A 57 5.247 -1.837 -4.363 1.00 43.14 H new ATOM 0 HB2 PHE A 57 2.513 -0.570 -3.869 1.00 51.33 H new ATOM 0 HB3 PHE A 57 4.040 0.288 -3.928 1.00 51.33 H new ATOM 0 HD1 PHE A 57 5.244 0.548 -6.098 1.00 42.34 H new ATOM 0 HD2 PHE A 57 1.386 -1.252 -5.899 1.00 62.34 H new ATOM 0 HE1 PHE A 57 4.974 0.856 -8.521 1.00 14.31 H new ATOM 0 HE2 PHE A 57 1.113 -0.940 -8.321 1.00 73.21 H new ATOM 0 HZ PHE A 57 2.911 0.107 -9.637 1.00 44.32 H new ATOM 933 N GLN A 58 5.524 -1.668 -1.873 1.00 63.20 N ATOM 934 CA GLN A 58 5.751 -1.751 -0.421 1.00 21.14 C ATOM 935 C GLN A 58 5.856 -0.364 0.237 1.00 30.33 C ATOM 936 O GLN A 58 6.170 0.637 -0.415 1.00 65.21 O ATOM 937 CB GLN A 58 7.021 -2.563 -0.121 1.00 63.54 C ATOM 938 CG GLN A 58 6.874 -4.058 -0.383 1.00 35.31 C ATOM 939 CD GLN A 58 8.132 -4.846 -0.051 1.00 2.41 C ATOM 940 OE1 GLN A 58 8.921 -4.457 0.802 1.00 34.53 O ATOM 941 NE2 GLN A 58 8.315 -5.975 -0.704 1.00 73.53 N ATOM 0 H GLN A 58 6.340 -1.374 -2.409 1.00 63.20 H new ATOM 0 HA GLN A 58 4.883 -2.254 0.005 1.00 21.14 H new ATOM 0 HB2 GLN A 58 7.840 -2.176 -0.728 1.00 63.54 H new ATOM 0 HB3 GLN A 58 7.299 -2.412 0.922 1.00 63.54 H new ATOM 0 HG2 GLN A 58 6.043 -4.445 0.207 1.00 35.31 H new ATOM 0 HG3 GLN A 58 6.620 -4.214 -1.431 1.00 35.31 H new ATOM 0 HE21 GLN A 58 7.640 -6.272 -1.409 1.00 73.53 H new ATOM 0 HE22 GLN A 58 9.132 -6.553 -0.505 1.00 73.53 H new ATOM 950 N GLY A 59 5.586 -0.323 1.541 1.00 1.41 N ATOM 951 CA GLY A 59 5.688 0.914 2.309 1.00 21.20 C ATOM 952 C GLY A 59 5.937 0.660 3.794 1.00 1.04 C ATOM 953 O GLY A 59 5.467 -0.336 4.346 1.00 62.44 O ATOM 0 H GLY A 59 5.295 -1.134 2.087 1.00 1.41 H new ATOM 0 HA2 GLY A 59 6.498 1.522 1.907 1.00 21.20 H new ATOM 0 HA3 GLY A 59 4.769 1.488 2.191 1.00 21.20 H new ATOM 957 N ALA A 60 6.669 1.565 4.444 1.00 3.24 N ATOM 958 CA ALA A 60 7.035 1.400 5.858 1.00 2.12 C ATOM 959 C ALA A 60 6.428 2.497 6.748 1.00 42.44 C ATOM 960 O ALA A 60 6.358 3.663 6.359 1.00 52.21 O ATOM 961 CB ALA A 60 8.553 1.387 6.006 1.00 43.05 C ATOM 0 H ALA A 60 7.022 2.421 4.017 1.00 3.24 H new ATOM 0 HA ALA A 60 6.625 0.447 6.192 1.00 2.12 H new ATOM 0 HB1 ALA A 60 8.815 1.264 7.057 1.00 43.05 H new ATOM 0 HB2 ALA A 60 8.968 0.560 5.430 1.00 43.05 H new ATOM 0 HB3 ALA A 60 8.963 2.327 5.637 1.00 43.05 H new ATOM 967 N GLY A 61 6.002 2.109 7.949 1.00 31.33 N ATOM 968 CA GLY A 61 5.420 3.061 8.895 1.00 54.12 C ATOM 969 C GLY A 61 5.515 2.597 10.352 1.00 25.14 C ATOM 970 O GLY A 61 5.992 1.497 10.629 1.00 43.13 O ATOM 0 H GLY A 61 6.048 1.148 8.289 1.00 31.33 H new ATOM 0 HA2 GLY A 61 5.926 4.021 8.792 1.00 54.12 H new ATOM 0 HA3 GLY A 61 4.373 3.223 8.640 1.00 54.12 H new ATOM 974 N SER A 62 5.051 3.436 11.283 1.00 51.05 N ATOM 975 CA SER A 62 5.097 3.113 12.726 1.00 51.05 C ATOM 976 C SER A 62 4.139 1.967 13.097 1.00 74.14 C ATOM 977 O SER A 62 4.300 1.314 14.128 1.00 32.30 O ATOM 978 CB SER A 62 4.751 4.355 13.560 1.00 70.13 C ATOM 979 OG SER A 62 3.449 4.839 13.251 1.00 21.33 O ATOM 0 H SER A 62 4.638 4.344 11.071 1.00 51.05 H new ATOM 0 HA SER A 62 6.113 2.786 12.947 1.00 51.05 H new ATOM 0 HB2 SER A 62 4.808 4.111 14.621 1.00 70.13 H new ATOM 0 HB3 SER A 62 5.486 5.138 13.373 1.00 70.13 H new ATOM 0 HG SER A 62 3.255 5.629 13.798 1.00 21.33 H new ATOM 985 N ASN A 63 3.136 1.740 12.254 1.00 11.52 N ATOM 986 CA ASN A 63 2.161 0.662 12.466 1.00 23.42 C ATOM 987 C ASN A 63 1.562 0.208 11.128 1.00 62.52 C ATOM 988 O ASN A 63 1.810 0.829 10.096 1.00 51.24 O ATOM 989 CB ASN A 63 1.056 1.120 13.422 1.00 12.50 C ATOM 990 CG ASN A 63 0.293 2.320 12.899 1.00 33.22 C ATOM 991 OD1 ASN A 63 -0.714 2.183 12.214 1.00 75.45 O ATOM 992 ND2 ASN A 63 0.778 3.507 13.200 1.00 13.20 N ATOM 0 H ASN A 63 2.972 2.290 11.410 1.00 11.52 H new ATOM 0 HA ASN A 63 2.677 -0.186 12.917 1.00 23.42 H new ATOM 0 HB2 ASN A 63 0.361 0.297 13.589 1.00 12.50 H new ATOM 0 HB3 ASN A 63 1.496 1.367 14.388 1.00 12.50 H new ATOM 0 HD21 ASN A 63 0.313 4.349 12.860 1.00 13.20 H new ATOM 0 HD22 ASN A 63 1.618 3.584 13.773 1.00 13.20 H new ATOM 999 N LYS A 64 0.765 -0.861 11.150 1.00 0.10 N ATOM 1000 CA LYS A 64 0.204 -1.434 9.913 1.00 55.41 C ATOM 1001 C LYS A 64 -0.626 -0.415 9.114 1.00 41.52 C ATOM 1002 O LYS A 64 -0.520 -0.354 7.892 1.00 61.32 O ATOM 1003 CB LYS A 64 -0.641 -2.677 10.224 1.00 72.20 C ATOM 1004 CG LYS A 64 0.177 -3.845 10.773 1.00 43.01 C ATOM 1005 CD LYS A 64 -0.678 -5.094 10.979 1.00 24.21 C ATOM 1006 CE LYS A 64 0.151 -6.265 11.498 1.00 0.52 C ATOM 1007 NZ LYS A 64 -0.671 -7.492 11.672 1.00 12.34 N ATOM 0 H LYS A 64 0.491 -1.349 12.003 1.00 0.10 H new ATOM 0 HA LYS A 64 1.051 -1.722 9.290 1.00 55.41 H new ATOM 0 HB2 LYS A 64 -1.412 -2.411 10.947 1.00 72.20 H new ATOM 0 HB3 LYS A 64 -1.152 -2.996 9.316 1.00 72.20 H new ATOM 0 HG2 LYS A 64 0.992 -4.072 10.085 1.00 43.01 H new ATOM 0 HG3 LYS A 64 0.631 -3.556 11.721 1.00 43.01 H new ATOM 0 HD2 LYS A 64 -1.479 -4.874 11.684 1.00 24.21 H new ATOM 0 HD3 LYS A 64 -1.150 -5.372 10.037 1.00 24.21 H new ATOM 0 HE2 LYS A 64 0.966 -6.469 10.803 1.00 0.52 H new ATOM 0 HE3 LYS A 64 0.605 -5.994 12.451 1.00 0.52 H new ATOM 0 HZ1 LYS A 64 -0.071 -8.264 12.026 1.00 12.34 H new ATOM 0 HZ2 LYS A 64 -1.433 -7.305 12.354 1.00 12.34 H new ATOM 0 HZ3 LYS A 64 -1.084 -7.766 10.758 1.00 12.34 H new ATOM 1021 N LYS A 65 -1.441 0.386 9.801 1.00 53.11 N ATOM 1022 CA LYS A 65 -2.256 1.415 9.132 1.00 43.11 C ATOM 1023 C LYS A 65 -1.374 2.414 8.363 1.00 72.42 C ATOM 1024 O LYS A 65 -1.579 2.655 7.172 1.00 10.11 O ATOM 1025 CB LYS A 65 -3.123 2.161 10.161 1.00 41.33 C ATOM 1026 CG LYS A 65 -4.231 1.307 10.775 1.00 13.42 C ATOM 1027 CD LYS A 65 -5.328 0.972 9.763 1.00 21.45 C ATOM 1028 CE LYS A 65 -6.048 2.229 9.276 1.00 61.24 C ATOM 1029 NZ LYS A 65 -7.150 1.911 8.329 1.00 41.02 N ATOM 0 H LYS A 65 -1.558 0.347 10.814 1.00 53.11 H new ATOM 0 HA LYS A 65 -2.905 0.913 8.414 1.00 43.11 H new ATOM 0 HB2 LYS A 65 -2.481 2.534 10.959 1.00 41.33 H new ATOM 0 HB3 LYS A 65 -3.572 3.030 9.680 1.00 41.33 H new ATOM 0 HG2 LYS A 65 -3.803 0.383 11.164 1.00 13.42 H new ATOM 0 HG3 LYS A 65 -4.669 1.836 11.621 1.00 13.42 H new ATOM 0 HD2 LYS A 65 -4.891 0.450 8.912 1.00 21.45 H new ATOM 0 HD3 LYS A 65 -6.049 0.293 10.218 1.00 21.45 H new ATOM 0 HE2 LYS A 65 -6.451 2.770 10.132 1.00 61.24 H new ATOM 0 HE3 LYS A 65 -5.332 2.891 8.789 1.00 61.24 H new ATOM 0 HZ1 LYS A 65 -7.611 2.792 8.024 1.00 41.02 H new ATOM 0 HZ2 LYS A 65 -6.763 1.418 7.499 1.00 41.02 H new ATOM 0 HZ3 LYS A 65 -7.848 1.301 8.801 1.00 41.02 H new ATOM 1043 N VAL A 66 -0.388 2.983 9.054 1.00 73.10 N ATOM 1044 CA VAL A 66 0.540 3.940 8.440 1.00 22.13 C ATOM 1045 C VAL A 66 1.391 3.281 7.340 1.00 63.13 C ATOM 1046 O VAL A 66 1.622 3.868 6.282 1.00 12.43 O ATOM 1047 CB VAL A 66 1.466 4.581 9.508 1.00 55.20 C ATOM 1048 CG1 VAL A 66 2.491 5.508 8.862 1.00 70.42 C ATOM 1049 CG2 VAL A 66 0.637 5.339 10.540 1.00 75.32 C ATOM 0 H VAL A 66 -0.208 2.800 10.041 1.00 73.10 H new ATOM 0 HA VAL A 66 -0.066 4.721 7.981 1.00 22.13 H new ATOM 0 HB VAL A 66 2.008 3.780 10.012 1.00 55.20 H new ATOM 0 HG11 VAL A 66 3.126 5.943 9.634 1.00 70.42 H new ATOM 0 HG12 VAL A 66 3.106 4.940 8.164 1.00 70.42 H new ATOM 0 HG13 VAL A 66 1.975 6.304 8.326 1.00 70.42 H new ATOM 0 HG21 VAL A 66 1.299 5.784 11.283 1.00 75.32 H new ATOM 0 HG22 VAL A 66 0.069 6.126 10.044 1.00 75.32 H new ATOM 0 HG23 VAL A 66 -0.050 4.650 11.032 1.00 75.32 H new ATOM 1059 N ALA A 67 1.842 2.052 7.588 1.00 33.34 N ATOM 1060 CA ALA A 67 2.620 1.298 6.600 1.00 2.03 C ATOM 1061 C ALA A 67 1.801 1.053 5.320 1.00 54.02 C ATOM 1062 O ALA A 67 2.315 1.188 4.208 1.00 42.33 O ATOM 1063 CB ALA A 67 3.101 -0.020 7.199 1.00 71.21 C ATOM 0 H ALA A 67 1.683 1.555 8.465 1.00 33.34 H new ATOM 0 HA ALA A 67 3.492 1.892 6.326 1.00 2.03 H new ATOM 0 HB1 ALA A 67 3.677 -0.569 6.454 1.00 71.21 H new ATOM 0 HB2 ALA A 67 3.729 0.182 8.067 1.00 71.21 H new ATOM 0 HB3 ALA A 67 2.241 -0.616 7.504 1.00 71.21 H new ATOM 1069 N LYS A 68 0.522 0.700 5.488 1.00 64.31 N ATOM 1070 CA LYS A 68 -0.400 0.561 4.354 1.00 12.30 C ATOM 1071 C LYS A 68 -0.535 1.883 3.593 1.00 4.12 C ATOM 1072 O LYS A 68 -0.667 1.893 2.374 1.00 64.13 O ATOM 1073 CB LYS A 68 -1.789 0.104 4.826 1.00 53.52 C ATOM 1074 CG LYS A 68 -1.854 -1.347 5.292 1.00 52.42 C ATOM 1075 CD LYS A 68 -3.260 -1.729 5.759 1.00 22.11 C ATOM 1076 CE LYS A 68 -4.306 -1.523 4.666 1.00 11.45 C ATOM 1077 NZ LYS A 68 -5.665 -1.924 5.108 1.00 64.23 N ATOM 0 H LYS A 68 0.102 0.505 6.397 1.00 64.31 H new ATOM 0 HA LYS A 68 0.016 -0.194 3.688 1.00 12.30 H new ATOM 0 HB2 LYS A 68 -2.111 0.749 5.643 1.00 53.52 H new ATOM 0 HB3 LYS A 68 -2.499 0.243 4.011 1.00 53.52 H new ATOM 0 HG2 LYS A 68 -1.550 -2.005 4.478 1.00 52.42 H new ATOM 0 HG3 LYS A 68 -1.146 -1.500 6.107 1.00 52.42 H new ATOM 0 HD2 LYS A 68 -3.266 -2.773 6.073 1.00 22.11 H new ATOM 0 HD3 LYS A 68 -3.526 -1.132 6.631 1.00 22.11 H new ATOM 0 HE2 LYS A 68 -4.317 -0.474 4.369 1.00 11.45 H new ATOM 0 HE3 LYS A 68 -4.027 -2.101 3.785 1.00 11.45 H new ATOM 0 HZ1 LYS A 68 -6.342 -1.767 4.334 1.00 64.23 H new ATOM 0 HZ2 LYS A 68 -5.663 -2.931 5.367 1.00 64.23 H new ATOM 0 HZ3 LYS A 68 -5.944 -1.355 5.933 1.00 64.23 H new ATOM 1091 N ALA A 69 -0.514 2.995 4.327 1.00 63.11 N ATOM 1092 CA ALA A 69 -0.608 4.324 3.719 1.00 10.42 C ATOM 1093 C ALA A 69 0.582 4.610 2.789 1.00 20.30 C ATOM 1094 O ALA A 69 0.399 5.063 1.657 1.00 42.13 O ATOM 1095 CB ALA A 69 -0.722 5.395 4.798 1.00 2.24 C ATOM 0 H ALA A 69 -0.433 3.003 5.344 1.00 63.11 H new ATOM 0 HA ALA A 69 -1.510 4.346 3.107 1.00 10.42 H new ATOM 0 HB1 ALA A 69 -0.791 6.377 4.330 1.00 2.24 H new ATOM 0 HB2 ALA A 69 -1.615 5.215 5.397 1.00 2.24 H new ATOM 0 HB3 ALA A 69 0.158 5.360 5.440 1.00 2.24 H new ATOM 1101 N TYR A 70 1.801 4.343 3.263 1.00 40.41 N ATOM 1102 CA TYR A 70 3.006 4.507 2.436 1.00 51.13 C ATOM 1103 C TYR A 70 3.040 3.501 1.272 1.00 41.31 C ATOM 1104 O TYR A 70 3.530 3.816 0.184 1.00 71.43 O ATOM 1105 CB TYR A 70 4.270 4.374 3.293 1.00 2.53 C ATOM 1106 CG TYR A 70 4.531 5.574 4.190 1.00 34.51 C ATOM 1107 CD1 TYR A 70 5.230 6.682 3.714 1.00 71.42 C ATOM 1108 CD2 TYR A 70 4.088 5.602 5.507 1.00 23.12 C ATOM 1109 CE1 TYR A 70 5.475 7.776 4.523 1.00 53.53 C ATOM 1110 CE2 TYR A 70 4.332 6.695 6.319 1.00 61.10 C ATOM 1111 CZ TYR A 70 5.024 7.775 5.825 1.00 3.12 C ATOM 1112 OH TYR A 70 5.267 8.861 6.639 1.00 60.12 O ATOM 0 H TYR A 70 1.983 4.013 4.211 1.00 40.41 H new ATOM 0 HA TYR A 70 2.974 5.508 2.007 1.00 51.13 H new ATOM 0 HB2 TYR A 70 4.186 3.481 3.912 1.00 2.53 H new ATOM 0 HB3 TYR A 70 5.129 4.228 2.638 1.00 2.53 H new ATOM 0 HD1 TYR A 70 5.587 6.686 2.695 1.00 71.42 H new ATOM 0 HD2 TYR A 70 3.545 4.757 5.903 1.00 23.12 H new ATOM 0 HE1 TYR A 70 6.017 8.627 4.137 1.00 53.53 H new ATOM 0 HE2 TYR A 70 3.979 6.700 7.340 1.00 61.10 H new ATOM 0 HH TYR A 70 4.881 8.699 7.525 1.00 60.12 H new ATOM 1122 N ALA A 71 2.530 2.293 1.504 1.00 5.45 N ATOM 1123 CA ALA A 71 2.409 1.288 0.438 1.00 20.21 C ATOM 1124 C ALA A 71 1.410 1.747 -0.634 1.00 23.43 C ATOM 1125 O ALA A 71 1.669 1.649 -1.835 1.00 70.11 O ATOM 1126 CB ALA A 71 1.995 -0.061 1.019 1.00 11.44 C ATOM 0 H ALA A 71 2.194 1.983 2.416 1.00 5.45 H new ATOM 0 HA ALA A 71 3.384 1.174 -0.036 1.00 20.21 H new ATOM 0 HB1 ALA A 71 1.910 -0.793 0.216 1.00 11.44 H new ATOM 0 HB2 ALA A 71 2.746 -0.394 1.736 1.00 11.44 H new ATOM 0 HB3 ALA A 71 1.033 0.039 1.521 1.00 11.44 H new ATOM 1132 N ALA A 72 0.271 2.268 -0.181 1.00 60.53 N ATOM 1133 CA ALA A 72 -0.752 2.805 -1.076 1.00 10.44 C ATOM 1134 C ALA A 72 -0.233 4.022 -1.856 1.00 24.22 C ATOM 1135 O ALA A 72 -0.471 4.147 -3.057 1.00 3.25 O ATOM 1136 CB ALA A 72 -2.001 3.169 -0.286 1.00 61.14 C ATOM 0 H ALA A 72 0.032 2.330 0.809 1.00 60.53 H new ATOM 0 HA ALA A 72 -1.005 2.032 -1.802 1.00 10.44 H new ATOM 0 HB1 ALA A 72 -2.756 3.568 -0.963 1.00 61.14 H new ATOM 0 HB2 ALA A 72 -2.391 2.279 0.209 1.00 61.14 H new ATOM 0 HB3 ALA A 72 -1.752 3.921 0.463 1.00 61.14 H new ATOM 1142 N LEU A 73 0.477 4.923 -1.168 1.00 25.21 N ATOM 1143 CA LEU A 73 1.121 6.067 -1.829 1.00 65.03 C ATOM 1144 C LEU A 73 2.108 5.599 -2.906 1.00 1.40 C ATOM 1145 O LEU A 73 2.197 6.195 -3.975 1.00 13.12 O ATOM 1146 CB LEU A 73 1.849 6.956 -0.810 1.00 62.52 C ATOM 1147 CG LEU A 73 0.945 7.866 0.036 1.00 51.14 C ATOM 1148 CD1 LEU A 73 1.761 8.621 1.083 1.00 3.11 C ATOM 1149 CD2 LEU A 73 0.182 8.845 -0.858 1.00 22.44 C ATOM 0 H LEU A 73 0.621 4.884 -0.159 1.00 25.21 H new ATOM 0 HA LEU A 73 0.334 6.652 -2.305 1.00 65.03 H new ATOM 0 HB2 LEU A 73 2.422 6.316 -0.139 1.00 62.52 H new ATOM 0 HB3 LEU A 73 2.566 7.580 -1.344 1.00 62.52 H new ATOM 0 HG LEU A 73 0.222 7.238 0.557 1.00 51.14 H new ATOM 0 HD11 LEU A 73 1.099 9.259 1.669 1.00 3.11 H new ATOM 0 HD12 LEU A 73 2.256 7.908 1.742 1.00 3.11 H new ATOM 0 HD13 LEU A 73 2.511 9.236 0.586 1.00 3.11 H new ATOM 0 HD21 LEU A 73 -0.453 9.481 -0.242 1.00 22.44 H new ATOM 0 HD22 LEU A 73 0.891 9.464 -1.408 1.00 22.44 H new ATOM 0 HD23 LEU A 73 -0.436 8.288 -1.562 1.00 22.44 H new ATOM 1161 N ALA A 74 2.847 4.529 -2.617 1.00 41.32 N ATOM 1162 CA ALA A 74 3.772 3.945 -3.594 1.00 12.41 C ATOM 1163 C ALA A 74 3.038 3.580 -4.895 1.00 55.12 C ATOM 1164 O ALA A 74 3.558 3.777 -5.993 1.00 24.42 O ATOM 1165 CB ALA A 74 4.461 2.720 -3.003 1.00 62.31 C ATOM 0 H ALA A 74 2.825 4.048 -1.718 1.00 41.32 H new ATOM 0 HA ALA A 74 4.532 4.689 -3.834 1.00 12.41 H new ATOM 0 HB1 ALA A 74 5.145 2.297 -3.739 1.00 62.31 H new ATOM 0 HB2 ALA A 74 5.020 3.011 -2.113 1.00 62.31 H new ATOM 0 HB3 ALA A 74 3.712 1.976 -2.734 1.00 62.31 H new ATOM 1171 N ALA A 75 1.818 3.062 -4.756 1.00 14.24 N ATOM 1172 CA ALA A 75 0.975 2.717 -5.908 1.00 2.01 C ATOM 1173 C ALA A 75 0.381 3.969 -6.579 1.00 20.11 C ATOM 1174 O ALA A 75 0.468 4.132 -7.794 1.00 0.34 O ATOM 1175 CB ALA A 75 -0.141 1.776 -5.470 1.00 4.43 C ATOM 0 H ALA A 75 1.386 2.870 -3.852 1.00 14.24 H new ATOM 0 HA ALA A 75 1.605 2.218 -6.645 1.00 2.01 H new ATOM 0 HB1 ALA A 75 -0.763 1.524 -6.329 1.00 4.43 H new ATOM 0 HB2 ALA A 75 0.292 0.865 -5.056 1.00 4.43 H new ATOM 0 HB3 ALA A 75 -0.752 2.265 -4.711 1.00 4.43 H new ATOM 1181 N LEU A 76 -0.225 4.847 -5.780 1.00 62.21 N ATOM 1182 CA LEU A 76 -0.850 6.076 -6.293 1.00 11.13 C ATOM 1183 C LEU A 76 0.159 6.972 -7.029 1.00 13.23 C ATOM 1184 O LEU A 76 -0.033 7.301 -8.193 1.00 4.43 O ATOM 1185 CB LEU A 76 -1.506 6.862 -5.148 1.00 52.22 C ATOM 1186 CG LEU A 76 -2.774 6.224 -4.552 1.00 14.45 C ATOM 1187 CD1 LEU A 76 -3.272 7.027 -3.354 1.00 44.42 C ATOM 1188 CD2 LEU A 76 -3.869 6.115 -5.613 1.00 42.30 C ATOM 0 H LEU A 76 -0.299 4.733 -4.769 1.00 62.21 H new ATOM 0 HA LEU A 76 -1.613 5.774 -7.011 1.00 11.13 H new ATOM 0 HB2 LEU A 76 -0.774 6.988 -4.350 1.00 52.22 H new ATOM 0 HB3 LEU A 76 -1.757 7.859 -5.511 1.00 52.22 H new ATOM 0 HG LEU A 76 -2.521 5.220 -4.210 1.00 14.45 H new ATOM 0 HD11 LEU A 76 -4.169 6.558 -2.949 1.00 44.42 H new ATOM 0 HD12 LEU A 76 -2.498 7.054 -2.587 1.00 44.42 H new ATOM 0 HD13 LEU A 76 -3.505 8.044 -3.669 1.00 44.42 H new ATOM 0 HD21 LEU A 76 -4.758 5.662 -5.174 1.00 42.30 H new ATOM 0 HD22 LEU A 76 -4.115 7.109 -5.985 1.00 42.30 H new ATOM 0 HD23 LEU A 76 -3.516 5.496 -6.438 1.00 42.30 H new ATOM 1200 N GLU A 77 1.236 7.347 -6.352 1.00 23.44 N ATOM 1201 CA GLU A 77 2.246 8.245 -6.933 1.00 11.13 C ATOM 1202 C GLU A 77 2.896 7.649 -8.200 1.00 44.44 C ATOM 1203 O GLU A 77 3.465 8.372 -9.016 1.00 42.22 O ATOM 1204 CB GLU A 77 3.328 8.562 -5.889 1.00 10.54 C ATOM 1205 CG GLU A 77 2.782 9.100 -4.568 1.00 75.21 C ATOM 1206 CD GLU A 77 1.972 10.374 -4.728 1.00 12.42 C ATOM 1207 OE1 GLU A 77 2.580 11.456 -4.865 1.00 73.20 O ATOM 1208 OE2 GLU A 77 0.724 10.306 -4.711 1.00 51.51 O ATOM 0 H GLU A 77 1.440 7.047 -5.399 1.00 23.44 H new ATOM 0 HA GLU A 77 1.737 9.163 -7.227 1.00 11.13 H new ATOM 0 HB2 GLU A 77 3.902 7.657 -5.691 1.00 10.54 H new ATOM 0 HB3 GLU A 77 4.019 9.293 -6.309 1.00 10.54 H new ATOM 0 HG2 GLU A 77 2.158 8.337 -4.103 1.00 75.21 H new ATOM 0 HG3 GLU A 77 3.614 9.289 -3.889 1.00 75.21 H new ATOM 1215 N LYS A 78 2.811 6.327 -8.353 1.00 3.45 N ATOM 1216 CA LYS A 78 3.394 5.632 -9.511 1.00 1.30 C ATOM 1217 C LYS A 78 2.364 5.485 -10.650 1.00 54.02 C ATOM 1218 O LYS A 78 2.685 5.681 -11.824 1.00 54.01 O ATOM 1219 CB LYS A 78 3.917 4.254 -9.050 1.00 14.02 C ATOM 1220 CG LYS A 78 4.762 3.483 -10.072 1.00 1.11 C ATOM 1221 CD LYS A 78 3.914 2.767 -11.123 1.00 31.33 C ATOM 1222 CE LYS A 78 4.744 1.811 -11.974 1.00 42.32 C ATOM 1223 NZ LYS A 78 5.869 2.501 -12.659 1.00 31.10 N ATOM 0 H LYS A 78 2.343 5.710 -7.689 1.00 3.45 H new ATOM 0 HA LYS A 78 4.222 6.220 -9.907 1.00 1.30 H new ATOM 0 HB2 LYS A 78 4.512 4.396 -8.148 1.00 14.02 H new ATOM 0 HB3 LYS A 78 3.062 3.636 -8.774 1.00 14.02 H new ATOM 0 HG2 LYS A 78 5.442 4.174 -10.570 1.00 1.11 H new ATOM 0 HG3 LYS A 78 5.378 2.751 -9.549 1.00 1.11 H new ATOM 0 HD2 LYS A 78 3.116 2.213 -10.629 1.00 31.33 H new ATOM 0 HD3 LYS A 78 3.437 3.505 -11.768 1.00 31.33 H new ATOM 0 HE2 LYS A 78 5.139 1.015 -11.343 1.00 42.32 H new ATOM 0 HE3 LYS A 78 4.102 1.339 -12.718 1.00 42.32 H new ATOM 0 HZ1 LYS A 78 6.322 1.846 -13.329 1.00 31.10 H new ATOM 0 HZ2 LYS A 78 5.506 3.328 -13.175 1.00 31.10 H new ATOM 0 HZ3 LYS A 78 6.567 2.812 -11.953 1.00 31.10 H new ATOM 1237 N LEU A 79 1.126 5.147 -10.293 1.00 55.13 N ATOM 1238 CA LEU A 79 0.069 4.876 -11.281 1.00 35.12 C ATOM 1239 C LEU A 79 -0.846 6.092 -11.509 1.00 5.25 C ATOM 1240 O LEU A 79 -1.146 6.447 -12.652 1.00 74.01 O ATOM 1241 CB LEU A 79 -0.774 3.676 -10.827 1.00 31.12 C ATOM 1242 CG LEU A 79 -0.002 2.353 -10.673 1.00 74.10 C ATOM 1243 CD1 LEU A 79 -0.903 1.269 -10.095 1.00 12.02 C ATOM 1244 CD2 LEU A 79 0.582 1.910 -12.015 1.00 22.21 C ATOM 0 H LEU A 79 0.824 5.053 -9.323 1.00 55.13 H new ATOM 0 HA LEU A 79 0.561 4.653 -12.228 1.00 35.12 H new ATOM 0 HB2 LEU A 79 -1.239 3.920 -9.872 1.00 31.12 H new ATOM 0 HB3 LEU A 79 -1.580 3.526 -11.545 1.00 31.12 H new ATOM 0 HG LEU A 79 0.822 2.518 -9.979 1.00 74.10 H new ATOM 0 HD11 LEU A 79 -0.338 0.342 -9.994 1.00 12.02 H new ATOM 0 HD12 LEU A 79 -1.266 1.581 -9.116 1.00 12.02 H new ATOM 0 HD13 LEU A 79 -1.750 1.107 -10.761 1.00 12.02 H new ATOM 0 HD21 LEU A 79 1.124 0.973 -11.885 1.00 22.21 H new ATOM 0 HD22 LEU A 79 -0.225 1.766 -12.733 1.00 22.21 H new ATOM 0 HD23 LEU A 79 1.264 2.675 -12.385 1.00 22.21 H new ATOM 1256 N PHE A 80 -1.292 6.723 -10.420 1.00 74.05 N ATOM 1257 CA PHE A 80 -2.222 7.862 -10.496 1.00 70.42 C ATOM 1258 C PHE A 80 -1.618 9.138 -9.865 1.00 2.20 C ATOM 1259 O PHE A 80 -2.017 9.546 -8.770 1.00 51.04 O ATOM 1260 CB PHE A 80 -3.541 7.523 -9.778 1.00 11.41 C ATOM 1261 CG PHE A 80 -4.129 6.180 -10.150 1.00 75.22 C ATOM 1262 CD1 PHE A 80 -4.860 6.021 -11.320 1.00 40.44 C ATOM 1263 CD2 PHE A 80 -3.953 5.076 -9.322 1.00 54.14 C ATOM 1264 CE1 PHE A 80 -5.400 4.792 -11.655 1.00 1.43 C ATOM 1265 CE2 PHE A 80 -4.491 3.848 -9.654 1.00 34.02 C ATOM 1266 CZ PHE A 80 -5.215 3.705 -10.822 1.00 74.34 C ATOM 0 H PHE A 80 -1.025 6.466 -9.470 1.00 74.05 H new ATOM 0 HA PHE A 80 -2.411 8.054 -11.552 1.00 70.42 H new ATOM 0 HB2 PHE A 80 -3.371 7.545 -8.702 1.00 11.41 H new ATOM 0 HB3 PHE A 80 -4.272 8.300 -10.001 1.00 11.41 H new ATOM 0 HD1 PHE A 80 -5.009 6.866 -11.976 1.00 40.44 H new ATOM 0 HD2 PHE A 80 -3.388 5.181 -8.407 1.00 54.14 H new ATOM 0 HE1 PHE A 80 -5.966 4.682 -12.568 1.00 1.43 H new ATOM 0 HE2 PHE A 80 -4.346 3.000 -9.001 1.00 34.02 H new ATOM 0 HZ PHE A 80 -5.636 2.745 -11.084 1.00 74.34 H new