USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 24 ASN : amide:sc= -2.89! K(o=-3.3!,f=1.2) USER MOD Set 1.2: A 32 TYR OH : rot 165:sc= -0.447 USER MOD Single : A 18 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.2!) USER MOD Single : A 21 MET CE :methyl -174:sc= -0.828 (180deg=-0.918) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= 0.0512 (180deg=-0.0196) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -170:sc= -0.196 (180deg=-0.317) USER MOD Single : A 55 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 2.44 (180deg=-0.443) USER MOD Single : A 58 GLN : amide:sc= 0.57 K(o=0.57,f=-0.78) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.963 K(o=-0.96,f=-7.3!) 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+ -170:sc= -0.0129 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.179 9.991 2.068 1.00 15.32 N ATOM 284 CA ASN A 18 -6.255 8.955 2.563 1.00 64.01 C ATOM 285 C ASN A 18 -5.873 7.950 1.457 1.00 34.25 C ATOM 286 O ASN A 18 -6.737 7.401 0.771 1.00 4.20 O ATOM 287 CB ASN A 18 -6.846 8.223 3.779 1.00 33.45 C ATOM 288 CG ASN A 18 -5.942 7.111 4.284 1.00 72.34 C ATOM 289 OD1 ASN A 18 -6.074 5.959 3.886 1.00 71.25 O ATOM 290 ND2 ASN A 18 -4.996 7.447 5.141 1.00 61.33 N ATOM 0 HA ASN A 18 -5.343 9.462 2.876 1.00 64.01 H new ATOM 0 HB2 ASN A 18 -7.018 8.940 4.582 1.00 33.45 H new ATOM 0 HB3 ASN A 18 -7.816 7.805 3.511 1.00 33.45 H new ATOM 0 HD21 ASN A 18 -4.350 6.739 5.490 1.00 61.33 H new ATOM 0 HD22 ASN A 18 -4.911 8.414 5.454 1.00 61.33 H new ATOM 297 N PRO A 19 -4.562 7.676 1.286 1.00 61.43 N ATOM 298 CA PRO A 19 -4.062 6.803 0.206 1.00 13.43 C ATOM 299 C PRO A 19 -4.727 5.417 0.166 1.00 53.44 C ATOM 300 O PRO A 19 -5.052 4.914 -0.907 1.00 71.14 O ATOM 301 CB PRO A 19 -2.556 6.676 0.509 1.00 32.04 C ATOM 302 CG PRO A 19 -2.397 7.139 1.922 1.00 12.15 C ATOM 303 CD PRO A 19 -3.458 8.179 2.125 1.00 60.33 C ATOM 0 HA PRO A 19 -4.285 7.228 -0.772 1.00 13.43 H new ATOM 0 HB2 PRO A 19 -2.217 5.647 0.392 1.00 32.04 H new ATOM 0 HB3 PRO A 19 -1.965 7.286 -0.174 1.00 32.04 H new ATOM 0 HG2 PRO A 19 -2.519 6.312 2.622 1.00 12.15 H new ATOM 0 HG3 PRO A 19 -1.403 7.554 2.089 1.00 12.15 H new ATOM 0 HD2 PRO A 19 -3.749 8.263 3.172 1.00 60.33 H new ATOM 0 HD3 PRO A 19 -3.124 9.167 1.807 1.00 60.33 H new ATOM 311 N VAL A 20 -4.928 4.802 1.330 1.00 5.33 N ATOM 312 CA VAL A 20 -5.507 3.454 1.392 1.00 10.41 C ATOM 313 C VAL A 20 -6.955 3.436 0.872 1.00 54.33 C ATOM 314 O VAL A 20 -7.268 2.754 -0.106 1.00 2.31 O ATOM 315 CB VAL A 20 -5.469 2.886 2.835 1.00 70.30 C ATOM 316 CG1 VAL A 20 -6.017 1.461 2.878 1.00 44.24 C ATOM 317 CG2 VAL A 20 -4.046 2.940 3.397 1.00 74.45 C ATOM 0 H VAL A 20 -4.702 5.208 2.238 1.00 5.33 H new ATOM 0 HA VAL A 20 -4.896 2.822 0.748 1.00 10.41 H new ATOM 0 HB VAL A 20 -6.108 3.508 3.461 1.00 70.30 H new ATOM 0 HG11 VAL A 20 -5.979 1.087 3.901 1.00 44.24 H new ATOM 0 HG12 VAL A 20 -7.050 1.458 2.529 1.00 44.24 H new ATOM 0 HG13 VAL A 20 -5.414 0.820 2.235 1.00 44.24 H new ATOM 0 HG21 VAL A 20 -4.039 2.537 4.410 1.00 74.45 H new ATOM 0 HG22 VAL A 20 -3.383 2.347 2.767 1.00 74.45 H new ATOM 0 HG23 VAL A 20 -3.701 3.974 3.415 1.00 74.45 H new ATOM 327 N MET A 21 -7.827 4.218 1.505 1.00 1.12 N ATOM 328 CA MET A 21 -9.246 4.246 1.133 1.00 63.13 C ATOM 329 C MET A 21 -9.452 4.779 -0.293 1.00 71.42 C ATOM 330 O MET A 21 -10.274 4.248 -1.044 1.00 51.22 O ATOM 331 CB MET A 21 -10.056 5.086 2.130 1.00 1.53 C ATOM 332 CG MET A 21 -10.032 4.544 3.557 1.00 54.14 C ATOM 333 SD MET A 21 -11.094 5.476 4.681 1.00 41.42 S ATOM 334 CE MET A 21 -10.392 7.119 4.538 1.00 5.31 C ATOM 0 H MET A 21 -7.581 4.840 2.275 1.00 1.12 H new ATOM 0 HA MET A 21 -9.605 3.217 1.163 1.00 63.13 H new ATOM 0 HB2 MET A 21 -9.668 6.105 2.132 1.00 1.53 H new ATOM 0 HB3 MET A 21 -11.090 5.140 1.789 1.00 1.53 H new ATOM 0 HG2 MET A 21 -10.347 3.501 3.549 1.00 54.14 H new ATOM 0 HG3 MET A 21 -9.008 4.565 3.931 1.00 54.14 H new ATOM 0 HE1 MET A 21 -10.874 7.784 5.255 1.00 5.31 H new ATOM 0 HE2 MET A 21 -9.323 7.077 4.744 1.00 5.31 H new ATOM 0 HE3 MET A 21 -10.552 7.496 3.528 1.00 5.31 H new ATOM 344 N GLU A 22 -8.707 5.821 -0.669 1.00 51.24 N ATOM 345 CA GLU A 22 -8.790 6.356 -2.032 1.00 54.31 C ATOM 346 C GLU A 22 -8.401 5.288 -3.060 1.00 53.33 C ATOM 347 O GLU A 22 -9.150 5.017 -3.999 1.00 64.25 O ATOM 348 CB GLU A 22 -7.902 7.600 -2.200 1.00 1.14 C ATOM 349 CG GLU A 22 -8.002 8.224 -3.590 1.00 41.23 C ATOM 350 CD GLU A 22 -7.338 9.588 -3.683 1.00 4.52 C ATOM 351 OE1 GLU A 22 -7.922 10.574 -3.192 1.00 42.53 O ATOM 352 OE2 GLU A 22 -6.239 9.693 -4.264 1.00 54.33 O ATOM 0 H GLU A 22 -8.048 6.306 -0.060 1.00 51.24 H new ATOM 0 HA GLU A 22 -9.825 6.650 -2.206 1.00 54.31 H new ATOM 0 HB2 GLU A 22 -8.183 8.343 -1.454 1.00 1.14 H new ATOM 0 HB3 GLU A 22 -6.865 7.328 -2.004 1.00 1.14 H new ATOM 0 HG2 GLU A 22 -7.543 7.553 -4.316 1.00 41.23 H new ATOM 0 HG3 GLU A 22 -9.053 8.319 -3.864 1.00 41.23 H new ATOM 359 N LEU A 23 -7.236 4.668 -2.866 1.00 63.41 N ATOM 360 CA LEU A 23 -6.776 3.587 -3.748 1.00 31.14 C ATOM 361 C LEU A 23 -7.836 2.477 -3.869 1.00 61.13 C ATOM 362 O LEU A 23 -8.059 1.935 -4.953 1.00 25.02 O ATOM 363 CB LEU A 23 -5.452 3.003 -3.226 1.00 14.44 C ATOM 364 CG LEU A 23 -4.842 1.868 -4.069 1.00 2.02 C ATOM 365 CD1 LEU A 23 -4.528 2.343 -5.486 1.00 3.00 C ATOM 366 CD2 LEU A 23 -3.586 1.314 -3.394 1.00 43.41 C ATOM 0 H LEU A 23 -6.592 4.893 -2.108 1.00 63.41 H new ATOM 0 HA LEU A 23 -6.614 4.007 -4.740 1.00 31.14 H new ATOM 0 HB2 LEU A 23 -4.723 3.810 -3.156 1.00 14.44 H new ATOM 0 HB3 LEU A 23 -5.614 2.632 -2.214 1.00 14.44 H new ATOM 0 HG LEU A 23 -5.578 1.067 -4.140 1.00 2.02 H new ATOM 0 HD11 LEU A 23 -4.098 1.521 -6.058 1.00 3.00 H new ATOM 0 HD12 LEU A 23 -5.445 2.681 -5.968 1.00 3.00 H new ATOM 0 HD13 LEU A 23 -3.816 3.167 -5.444 1.00 3.00 H new ATOM 0 HD21 LEU A 23 -3.169 0.513 -4.004 1.00 43.41 H new ATOM 0 HD22 LEU A 23 -2.849 2.110 -3.287 1.00 43.41 H new ATOM 0 HD23 LEU A 23 -3.844 0.924 -2.410 1.00 43.41 H new ATOM 378 N ASN A 24 -8.506 2.169 -2.753 1.00 23.02 N ATOM 379 CA ASN A 24 -9.569 1.151 -2.737 1.00 20.02 C ATOM 380 C ASN A 24 -10.756 1.539 -3.639 1.00 13.44 C ATOM 381 O ASN A 24 -11.493 0.671 -4.113 1.00 44.20 O ATOM 382 CB ASN A 24 -10.059 0.898 -1.301 1.00 32.03 C ATOM 383 CG ASN A 24 -9.081 0.071 -0.477 1.00 12.12 C ATOM 384 OD1 ASN A 24 -9.483 -0.751 0.342 1.00 3.03 O ATOM 385 ND2 ASN A 24 -7.798 0.297 -0.660 1.00 34.23 N ATOM 0 H ASN A 24 -8.333 2.608 -1.849 1.00 23.02 H new ATOM 0 HA ASN A 24 -9.137 0.233 -3.134 1.00 20.02 H new ATOM 0 HB2 ASN A 24 -10.225 1.855 -0.806 1.00 32.03 H new ATOM 0 HB3 ASN A 24 -11.021 0.386 -1.336 1.00 32.03 H new ATOM 0 HD21 ASN A 24 -7.107 -0.217 -0.114 1.00 34.23 H new ATOM 0 HD22 ASN A 24 -7.495 0.986 -1.348 1.00 34.23 H new ATOM 392 N GLU A 25 -10.953 2.839 -3.862 1.00 35.03 N ATOM 393 CA GLU A 25 -12.006 3.316 -4.773 1.00 70.03 C ATOM 394 C GLU A 25 -11.446 3.673 -6.163 1.00 32.24 C ATOM 395 O GLU A 25 -12.202 3.825 -7.129 1.00 2.54 O ATOM 396 CB GLU A 25 -12.741 4.526 -4.168 1.00 43.50 C ATOM 397 CG GLU A 25 -13.548 4.193 -2.914 1.00 43.30 C ATOM 398 CD GLU A 25 -14.463 5.331 -2.480 1.00 53.51 C ATOM 399 OE1 GLU A 25 -15.456 5.600 -3.190 1.00 4.22 O ATOM 400 OE2 GLU A 25 -14.206 5.948 -1.424 1.00 1.23 O ATOM 0 H GLU A 25 -10.403 3.581 -3.429 1.00 35.03 H new ATOM 0 HA GLU A 25 -12.715 2.498 -4.902 1.00 70.03 H new ATOM 0 HB2 GLU A 25 -12.011 5.298 -3.925 1.00 43.50 H new ATOM 0 HB3 GLU A 25 -13.411 4.945 -4.919 1.00 43.50 H new ATOM 0 HG2 GLU A 25 -14.147 3.302 -3.100 1.00 43.30 H new ATOM 0 HG3 GLU A 25 -12.864 3.953 -2.100 1.00 43.30 H new ATOM 407 N LYS A 26 -10.122 3.816 -6.265 1.00 72.31 N ATOM 408 CA LYS A 26 -9.470 4.094 -7.553 1.00 42.44 C ATOM 409 C LYS A 26 -9.315 2.812 -8.383 1.00 73.52 C ATOM 410 O LYS A 26 -9.555 2.809 -9.590 1.00 71.22 O ATOM 411 CB LYS A 26 -8.096 4.755 -7.337 1.00 34.40 C ATOM 412 CG LYS A 26 -8.170 6.137 -6.682 1.00 14.15 C ATOM 413 CD LYS A 26 -8.971 7.133 -7.522 1.00 2.23 C ATOM 414 CE LYS A 26 -8.253 7.499 -8.819 1.00 73.41 C ATOM 415 NZ LYS A 26 -7.074 8.377 -8.579 1.00 41.24 N ATOM 0 H LYS A 26 -9.480 3.745 -5.476 1.00 72.31 H new ATOM 0 HA LYS A 26 -10.108 4.784 -8.105 1.00 42.44 H new ATOM 0 HB2 LYS A 26 -7.483 4.102 -6.716 1.00 34.40 H new ATOM 0 HB3 LYS A 26 -7.592 4.846 -8.299 1.00 34.40 H new ATOM 0 HG2 LYS A 26 -8.627 6.046 -5.696 1.00 14.15 H new ATOM 0 HG3 LYS A 26 -7.161 6.520 -6.532 1.00 14.15 H new ATOM 0 HD2 LYS A 26 -9.947 6.707 -7.756 1.00 2.23 H new ATOM 0 HD3 LYS A 26 -9.149 8.037 -6.939 1.00 2.23 H new ATOM 0 HE2 LYS A 26 -7.929 6.588 -9.323 1.00 73.41 H new ATOM 0 HE3 LYS A 26 -8.950 8.003 -9.488 1.00 73.41 H new ATOM 0 HZ1 LYS A 26 -7.247 9.313 -8.999 1.00 41.24 H new ATOM 0 HZ2 LYS A 26 -6.921 8.480 -7.556 1.00 41.24 H new ATOM 0 HZ3 LYS A 26 -6.230 7.952 -9.014 1.00 41.24 H new ATOM 429 N ARG A 27 -8.921 1.722 -7.728 1.00 44.10 N ATOM 430 CA ARG A 27 -8.772 0.418 -8.390 1.00 45.10 C ATOM 431 C ARG A 27 -9.336 -0.713 -7.522 1.00 21.20 C ATOM 432 O ARG A 27 -9.423 -0.588 -6.301 1.00 4.13 O ATOM 433 CB ARG A 27 -7.294 0.135 -8.717 1.00 75.40 C ATOM 434 CG ARG A 27 -6.737 0.994 -9.846 1.00 3.41 C ATOM 435 CD ARG A 27 -7.486 0.755 -11.156 1.00 72.52 C ATOM 436 NE ARG A 27 -7.389 -0.637 -11.592 1.00 0.04 N ATOM 437 CZ ARG A 27 -8.380 -1.329 -12.089 1.00 55.31 C ATOM 438 NH1 ARG A 27 -9.560 -0.804 -12.216 1.00 12.50 N ATOM 439 NH2 ARG A 27 -8.188 -2.552 -12.455 1.00 52.42 N ATOM 0 H ARG A 27 -8.697 1.712 -6.733 1.00 44.10 H new ATOM 0 HA ARG A 27 -9.339 0.458 -9.320 1.00 45.10 H new ATOM 0 HB2 ARG A 27 -6.696 0.298 -7.820 1.00 75.40 H new ATOM 0 HB3 ARG A 27 -7.186 -0.916 -8.986 1.00 75.40 H new ATOM 0 HG2 ARG A 27 -6.808 2.047 -9.572 1.00 3.41 H new ATOM 0 HG3 ARG A 27 -5.679 0.772 -9.985 1.00 3.41 H new ATOM 0 HD2 ARG A 27 -8.535 1.024 -11.029 1.00 72.52 H new ATOM 0 HD3 ARG A 27 -7.081 1.407 -11.930 1.00 72.52 H new ATOM 0 HE ARG A 27 -6.485 -1.100 -11.502 1.00 0.04 H new ATOM 0 HH11 ARG A 27 -9.723 0.160 -11.926 1.00 12.50 H new ATOM 0 HH12 ARG A 27 -10.324 -1.356 -12.606 1.00 12.50 H new ATOM 0 HH21 ARG A 27 -7.265 -2.975 -12.356 1.00 52.42 H new ATOM 0 HH22 ARG A 27 -8.959 -3.095 -12.843 1.00 52.42 H new ATOM 453 N ARG A 28 -9.721 -1.820 -8.159 1.00 50.10 N ATOM 454 CA ARG A 28 -10.221 -2.992 -7.432 1.00 1.53 C ATOM 455 C ARG A 28 -9.420 -4.253 -7.783 1.00 65.30 C ATOM 456 O ARG A 28 -8.778 -4.325 -8.831 1.00 10.04 O ATOM 457 CB ARG A 28 -11.720 -3.224 -7.691 1.00 14.33 C ATOM 458 CG ARG A 28 -12.110 -3.474 -9.149 1.00 23.54 C ATOM 459 CD ARG A 28 -12.167 -2.188 -9.970 1.00 22.54 C ATOM 460 NE ARG A 28 -12.857 -2.383 -11.245 1.00 34.02 N ATOM 461 CZ ARG A 28 -13.256 -1.414 -12.019 1.00 52.13 C ATOM 462 NH1 ARG A 28 -13.002 -0.183 -11.712 1.00 31.14 N ATOM 463 NH2 ARG A 28 -13.899 -1.679 -13.111 1.00 61.25 N ATOM 0 H ARG A 28 -9.697 -1.931 -9.173 1.00 50.10 H new ATOM 0 HA ARG A 28 -10.089 -2.785 -6.370 1.00 1.53 H new ATOM 0 HB2 ARG A 28 -12.045 -4.077 -7.096 1.00 14.33 H new ATOM 0 HB3 ARG A 28 -12.271 -2.355 -7.330 1.00 14.33 H new ATOM 0 HG2 ARG A 28 -11.392 -4.158 -9.601 1.00 23.54 H new ATOM 0 HG3 ARG A 28 -13.082 -3.965 -9.182 1.00 23.54 H new ATOM 0 HD2 ARG A 28 -12.677 -1.414 -9.396 1.00 22.54 H new ATOM 0 HD3 ARG A 28 -11.154 -1.832 -10.157 1.00 22.54 H new ATOM 0 HE ARG A 28 -13.038 -3.340 -11.548 1.00 34.02 H new ATOM 0 HH11 ARG A 28 -12.486 0.034 -10.859 1.00 31.14 H new ATOM 0 HH12 ARG A 28 -13.318 0.570 -12.323 1.00 31.14 H new ATOM 0 HH21 ARG A 28 -14.094 -2.647 -13.366 1.00 61.25 H new ATOM 0 HH22 ARG A 28 -14.211 -0.920 -13.716 1.00 61.25 H new ATOM 477 N GLY A 29 -9.477 -5.249 -6.902 1.00 43.43 N ATOM 478 CA GLY A 29 -8.633 -6.433 -7.041 1.00 10.03 C ATOM 479 C GLY A 29 -7.296 -6.260 -6.331 1.00 73.23 C ATOM 480 O GLY A 29 -6.276 -6.814 -6.746 1.00 70.31 O ATOM 0 H GLY A 29 -10.094 -5.260 -6.090 1.00 43.43 H new ATOM 0 HA2 GLY A 29 -9.152 -7.300 -6.632 1.00 10.03 H new ATOM 0 HA3 GLY A 29 -8.460 -6.634 -8.098 1.00 10.03 H new ATOM 484 N LEU A 30 -7.312 -5.483 -5.250 1.00 61.54 N ATOM 485 CA LEU A 30 -6.100 -5.145 -4.502 1.00 55.11 C ATOM 486 C LEU A 30 -5.804 -6.182 -3.413 1.00 44.35 C ATOM 487 O LEU A 30 -6.667 -6.978 -3.036 1.00 52.45 O ATOM 488 CB LEU A 30 -6.254 -3.759 -3.858 1.00 54.25 C ATOM 489 CG LEU A 30 -6.686 -2.630 -4.809 1.00 31.33 C ATOM 490 CD1 LEU A 30 -6.785 -1.306 -4.061 1.00 54.40 C ATOM 491 CD2 LEU A 30 -5.723 -2.514 -5.988 1.00 55.14 C ATOM 0 H LEU A 30 -8.163 -5.070 -4.868 1.00 61.54 H new ATOM 0 HA LEU A 30 -5.266 -5.139 -5.204 1.00 55.11 H new ATOM 0 HB2 LEU A 30 -6.985 -3.831 -3.053 1.00 54.25 H new ATOM 0 HB3 LEU A 30 -5.304 -3.482 -3.402 1.00 54.25 H new ATOM 0 HG LEU A 30 -7.673 -2.876 -5.202 1.00 31.33 H new ATOM 0 HD11 LEU A 30 -7.092 -0.520 -4.751 1.00 54.40 H new ATOM 0 HD12 LEU A 30 -7.520 -1.394 -3.261 1.00 54.40 H new ATOM 0 HD13 LEU A 30 -5.814 -1.055 -3.635 1.00 54.40 H new ATOM 0 HD21 LEU A 30 -6.049 -1.709 -6.646 1.00 55.14 H new ATOM 0 HD22 LEU A 30 -4.721 -2.297 -5.619 1.00 55.14 H new ATOM 0 HD23 LEU A 30 -5.711 -3.453 -6.541 1.00 55.14 H new ATOM 503 N LYS A 31 -4.582 -6.165 -2.899 1.00 5.32 N ATOM 504 CA LYS A 31 -4.181 -7.098 -1.845 1.00 11.33 C ATOM 505 C LYS A 31 -3.213 -6.444 -0.847 1.00 22.13 C ATOM 506 O LYS A 31 -2.089 -6.101 -1.202 1.00 52.15 O ATOM 507 CB LYS A 31 -3.532 -8.340 -2.468 1.00 3.14 C ATOM 508 CG LYS A 31 -3.013 -9.345 -1.443 1.00 53.32 C ATOM 509 CD LYS A 31 -2.423 -10.584 -2.110 1.00 32.31 C ATOM 510 CE LYS A 31 -3.470 -11.367 -2.896 1.00 20.14 C ATOM 511 NZ LYS A 31 -2.906 -12.602 -3.504 1.00 11.21 N ATOM 0 H LYS A 31 -3.849 -5.518 -3.191 1.00 5.32 H new ATOM 0 HA LYS A 31 -5.077 -7.389 -1.297 1.00 11.33 H new ATOM 0 HB2 LYS A 31 -4.260 -8.835 -3.111 1.00 3.14 H new ATOM 0 HB3 LYS A 31 -2.705 -8.025 -3.105 1.00 3.14 H new ATOM 0 HG2 LYS A 31 -2.253 -8.871 -0.822 1.00 53.32 H new ATOM 0 HG3 LYS A 31 -3.827 -9.642 -0.781 1.00 53.32 H new ATOM 0 HD2 LYS A 31 -1.616 -10.285 -2.780 1.00 32.31 H new ATOM 0 HD3 LYS A 31 -1.983 -11.230 -1.350 1.00 32.31 H new ATOM 0 HE2 LYS A 31 -4.295 -11.633 -2.235 1.00 20.14 H new ATOM 0 HE3 LYS A 31 -3.882 -10.733 -3.681 1.00 20.14 H new ATOM 0 HZ1 LYS A 31 -3.652 -13.103 -4.028 1.00 11.21 H new ATOM 0 HZ2 LYS A 31 -2.136 -12.348 -4.155 1.00 11.21 H new ATOM 0 HZ3 LYS A 31 -2.535 -13.220 -2.754 1.00 11.21 H new ATOM 525 N TYR A 32 -3.663 -6.271 0.396 1.00 64.05 N ATOM 526 CA TYR A 32 -2.818 -5.720 1.467 1.00 3.43 C ATOM 527 C TYR A 32 -2.351 -6.825 2.432 1.00 73.33 C ATOM 528 O TYR A 32 -3.161 -7.402 3.159 1.00 51.43 O ATOM 529 CB TYR A 32 -3.585 -4.659 2.273 1.00 54.44 C ATOM 530 CG TYR A 32 -3.964 -3.410 1.494 1.00 24.21 C ATOM 531 CD1 TYR A 32 -5.103 -3.380 0.697 1.00 2.25 C ATOM 532 CD2 TYR A 32 -3.194 -2.252 1.578 1.00 42.12 C ATOM 533 CE1 TYR A 32 -5.458 -2.239 0.003 1.00 24.24 C ATOM 534 CE2 TYR A 32 -3.547 -1.107 0.890 1.00 24.11 C ATOM 535 CZ TYR A 32 -4.680 -1.105 0.105 1.00 55.03 C ATOM 536 OH TYR A 32 -5.039 0.034 -0.578 1.00 2.04 O ATOM 0 H TYR A 32 -4.611 -6.504 0.691 1.00 64.05 H new ATOM 0 HA TYR A 32 -1.949 -5.266 0.990 1.00 3.43 H new ATOM 0 HB2 TYR A 32 -4.494 -5.112 2.669 1.00 54.44 H new ATOM 0 HB3 TYR A 32 -2.977 -4.365 3.129 1.00 54.44 H new ATOM 0 HD1 TYR A 32 -5.720 -4.263 0.619 1.00 2.25 H new ATOM 0 HD2 TYR A 32 -2.305 -2.249 2.192 1.00 42.12 H new ATOM 0 HE1 TYR A 32 -6.342 -2.235 -0.617 1.00 24.24 H new ATOM 0 HE2 TYR A 32 -2.938 -0.218 0.967 1.00 24.11 H new ATOM 0 HH TYR A 32 -4.541 0.799 -0.222 1.00 2.04 H new ATOM 546 N GLU A 33 -1.051 -7.117 2.447 1.00 41.34 N ATOM 547 CA GLU A 33 -0.492 -8.058 3.431 1.00 44.34 C ATOM 548 C GLU A 33 0.799 -7.516 4.058 1.00 73.15 C ATOM 549 O GLU A 33 1.364 -6.525 3.596 1.00 0.41 O ATOM 550 CB GLU A 33 -0.247 -9.444 2.816 1.00 5.02 C ATOM 551 CG GLU A 33 0.778 -9.472 1.690 1.00 10.40 C ATOM 552 CD GLU A 33 0.994 -10.879 1.145 1.00 4.02 C ATOM 553 OE1 GLU A 33 0.028 -11.470 0.611 1.00 62.43 O ATOM 554 OE2 GLU A 33 2.117 -11.420 1.277 1.00 0.51 O ATOM 0 H GLU A 33 -0.368 -6.724 1.800 1.00 41.34 H new ATOM 0 HA GLU A 33 -1.235 -8.166 4.221 1.00 44.34 H new ATOM 0 HB2 GLU A 33 0.081 -10.122 3.604 1.00 5.02 H new ATOM 0 HB3 GLU A 33 -1.193 -9.830 2.437 1.00 5.02 H new ATOM 0 HG2 GLU A 33 0.447 -8.818 0.883 1.00 10.40 H new ATOM 0 HG3 GLU A 33 1.726 -9.075 2.053 1.00 10.40 H new ATOM 561 N LEU A 34 1.253 -8.172 5.121 1.00 12.11 N ATOM 562 CA LEU A 34 2.414 -7.705 5.889 1.00 65.41 C ATOM 563 C LEU A 34 3.697 -8.463 5.502 1.00 12.52 C ATOM 564 O LEU A 34 3.752 -9.695 5.555 1.00 21.45 O ATOM 565 CB LEU A 34 2.130 -7.860 7.389 1.00 42.24 C ATOM 566 CG LEU A 34 3.258 -7.423 8.340 1.00 41.34 C ATOM 567 CD1 LEU A 34 3.625 -5.956 8.121 1.00 35.43 C ATOM 568 CD2 LEU A 34 2.844 -7.664 9.788 1.00 75.21 C ATOM 0 H LEU A 34 0.836 -9.033 5.476 1.00 12.11 H new ATOM 0 HA LEU A 34 2.578 -6.653 5.655 1.00 65.41 H new ATOM 0 HB2 LEU A 34 1.236 -7.285 7.630 1.00 42.24 H new ATOM 0 HB3 LEU A 34 1.899 -8.907 7.588 1.00 42.24 H new ATOM 0 HG LEU A 34 4.142 -8.022 8.122 1.00 41.34 H new ATOM 0 HD11 LEU A 34 4.424 -5.675 8.806 1.00 35.43 H new ATOM 0 HD12 LEU A 34 3.961 -5.814 7.094 1.00 35.43 H new ATOM 0 HD13 LEU A 34 2.752 -5.331 8.306 1.00 35.43 H new ATOM 0 HD21 LEU A 34 3.649 -7.352 10.453 1.00 75.21 H new ATOM 0 HD22 LEU A 34 1.945 -7.088 10.010 1.00 75.21 H new ATOM 0 HD23 LEU A 34 2.641 -8.725 9.937 1.00 75.21 H new ATOM 580 N ILE A 35 4.727 -7.712 5.121 1.00 21.35 N ATOM 581 CA ILE A 35 6.017 -8.290 4.727 1.00 24.10 C ATOM 582 C ILE A 35 6.949 -8.460 5.941 1.00 54.13 C ATOM 583 O ILE A 35 7.458 -9.555 6.206 1.00 52.01 O ATOM 584 CB ILE A 35 6.713 -7.404 3.662 1.00 50.53 C ATOM 585 CG1 ILE A 35 5.760 -7.128 2.484 1.00 2.31 C ATOM 586 CG2 ILE A 35 8.006 -8.053 3.171 1.00 11.10 C ATOM 587 CD1 ILE A 35 5.238 -8.378 1.799 1.00 11.15 C ATOM 0 H ILE A 35 4.696 -6.693 5.075 1.00 21.35 H new ATOM 0 HA ILE A 35 5.816 -9.273 4.302 1.00 24.10 H new ATOM 0 HB ILE A 35 6.971 -6.452 4.127 1.00 50.53 H new ATOM 0 HG12 ILE A 35 4.913 -6.545 2.846 1.00 2.31 H new ATOM 0 HG13 ILE A 35 6.279 -6.514 1.748 1.00 2.31 H new ATOM 0 HG21 ILE A 35 8.475 -7.411 2.425 1.00 11.10 H new ATOM 0 HG22 ILE A 35 8.687 -8.189 4.011 1.00 11.10 H new ATOM 0 HG23 ILE A 35 7.780 -9.022 2.726 1.00 11.10 H new ATOM 0 HD11 ILE A 35 4.575 -8.095 0.982 1.00 11.15 H new ATOM 0 HD12 ILE A 35 6.075 -8.953 1.404 1.00 11.15 H new ATOM 0 HD13 ILE A 35 4.688 -8.985 2.519 1.00 11.15 H new ATOM 599 N SER A 36 7.162 -7.371 6.683 1.00 15.53 N ATOM 600 CA SER A 36 8.042 -7.390 7.869 1.00 72.22 C ATOM 601 C SER A 36 7.444 -6.563 9.014 1.00 22.12 C ATOM 602 O SER A 36 6.678 -5.633 8.778 1.00 32.01 O ATOM 603 CB SER A 36 9.435 -6.849 7.516 1.00 12.32 C ATOM 604 OG SER A 36 10.331 -6.980 8.609 1.00 15.10 O ATOM 0 H SER A 36 6.741 -6.462 6.489 1.00 15.53 H new ATOM 0 HA SER A 36 8.132 -8.426 8.197 1.00 72.22 H new ATOM 0 HB2 SER A 36 9.829 -7.387 6.654 1.00 12.32 H new ATOM 0 HB3 SER A 36 9.358 -5.800 7.229 1.00 12.32 H new ATOM 0 HG SER A 36 11.210 -6.629 8.355 1.00 15.10 H new ATOM 740 N PHE A 46 6.641 -1.383 10.699 1.00 24.22 N ATOM 741 CA PHE A 46 5.947 -2.365 9.862 1.00 14.01 C ATOM 742 C PHE A 46 6.132 -2.075 8.367 1.00 22.02 C ATOM 743 O PHE A 46 6.040 -0.929 7.927 1.00 41.31 O ATOM 744 CB PHE A 46 4.452 -2.391 10.207 1.00 14.52 C ATOM 745 CG PHE A 46 4.161 -2.819 11.625 1.00 11.34 C ATOM 746 CD1 PHE A 46 4.219 -1.906 12.669 1.00 41.32 C ATOM 747 CD2 PHE A 46 3.833 -4.136 11.915 1.00 61.13 C ATOM 748 CE1 PHE A 46 3.955 -2.296 13.965 1.00 13.21 C ATOM 749 CE2 PHE A 46 3.568 -4.531 13.214 1.00 14.12 C ATOM 750 CZ PHE A 46 3.629 -3.611 14.239 1.00 32.02 C ATOM 0 HA PHE A 46 6.387 -3.341 10.069 1.00 14.01 H new ATOM 0 HB2 PHE A 46 4.034 -1.398 10.044 1.00 14.52 H new ATOM 0 HB3 PHE A 46 3.942 -3.068 9.521 1.00 14.52 H new ATOM 0 HD1 PHE A 46 4.474 -0.877 12.464 1.00 41.32 H new ATOM 0 HD2 PHE A 46 3.784 -4.862 11.117 1.00 61.13 H new ATOM 0 HE1 PHE A 46 4.003 -1.574 14.766 1.00 13.21 H new ATOM 0 HE2 PHE A 46 3.314 -5.559 13.425 1.00 14.12 H new ATOM 0 HZ PHE A 46 3.422 -3.917 15.254 1.00 32.02 H new ATOM 760 N VAL A 47 6.396 -3.130 7.601 1.00 32.32 N ATOM 761 CA VAL A 47 6.520 -3.041 6.145 1.00 53.22 C ATOM 762 C VAL A 47 5.375 -3.808 5.465 1.00 61.53 C ATOM 763 O VAL A 47 5.375 -5.045 5.443 1.00 51.52 O ATOM 764 CB VAL A 47 7.877 -3.616 5.654 1.00 42.11 C ATOM 765 CG1 VAL A 47 8.040 -3.424 4.144 1.00 3.23 C ATOM 766 CG2 VAL A 47 9.043 -2.980 6.415 1.00 65.34 C ATOM 0 H VAL A 47 6.530 -4.071 7.970 1.00 32.32 H new ATOM 0 HA VAL A 47 6.470 -1.986 5.877 1.00 53.22 H new ATOM 0 HB VAL A 47 7.883 -4.687 5.858 1.00 42.11 H new ATOM 0 HG11 VAL A 47 8.998 -3.835 3.826 1.00 3.23 H new ATOM 0 HG12 VAL A 47 7.233 -3.939 3.623 1.00 3.23 H new ATOM 0 HG13 VAL A 47 8.005 -2.361 3.907 1.00 3.23 H new ATOM 0 HG21 VAL A 47 9.983 -3.397 6.055 1.00 65.34 H new ATOM 0 HG22 VAL A 47 9.039 -1.902 6.253 1.00 65.34 H new ATOM 0 HG23 VAL A 47 8.938 -3.187 7.480 1.00 65.34 H new ATOM 776 N MET A 48 4.399 -3.077 4.931 1.00 22.12 N ATOM 777 CA MET A 48 3.235 -3.684 4.267 1.00 43.11 C ATOM 778 C MET A 48 3.394 -3.647 2.738 1.00 24.21 C ATOM 779 O MET A 48 4.191 -2.873 2.211 1.00 1.13 O ATOM 780 CB MET A 48 1.953 -2.935 4.668 1.00 11.34 C ATOM 781 CG MET A 48 1.685 -2.927 6.170 1.00 1.20 C ATOM 782 SD MET A 48 1.172 -4.534 6.811 1.00 3.11 S ATOM 783 CE MET A 48 -0.475 -4.679 6.122 1.00 40.43 C ATOM 0 H MET A 48 4.387 -2.057 4.943 1.00 22.12 H new ATOM 0 HA MET A 48 3.166 -4.724 4.585 1.00 43.11 H new ATOM 0 HB2 MET A 48 2.020 -1.906 4.315 1.00 11.34 H new ATOM 0 HB3 MET A 48 1.103 -3.391 4.160 1.00 11.34 H new ATOM 0 HG2 MET A 48 2.587 -2.607 6.691 1.00 1.20 H new ATOM 0 HG3 MET A 48 0.911 -2.192 6.390 1.00 1.20 H new ATOM 0 HE1 MET A 48 -0.984 -5.532 6.572 1.00 40.43 H new ATOM 0 HE2 MET A 48 -1.038 -3.769 6.330 1.00 40.43 H new ATOM 0 HE3 MET A 48 -0.407 -4.824 5.044 1.00 40.43 H new ATOM 793 N GLU A 49 2.633 -4.484 2.035 1.00 62.30 N ATOM 794 CA GLU A 49 2.656 -4.510 0.564 1.00 53.21 C ATOM 795 C GLU A 49 1.234 -4.523 -0.018 1.00 13.30 C ATOM 796 O GLU A 49 0.327 -5.152 0.537 1.00 1.11 O ATOM 797 CB GLU A 49 3.438 -5.735 0.061 1.00 2.53 C ATOM 798 CG GLU A 49 3.561 -5.810 -1.460 1.00 61.12 C ATOM 799 CD GLU A 49 4.407 -6.987 -1.930 1.00 33.31 C ATOM 800 OE1 GLU A 49 3.868 -8.104 -2.043 1.00 43.01 O ATOM 801 OE2 GLU A 49 5.616 -6.794 -2.205 1.00 51.03 O ATOM 0 H GLU A 49 1.991 -5.156 2.456 1.00 62.30 H new ATOM 0 HA GLU A 49 3.155 -3.602 0.225 1.00 53.21 H new ATOM 0 HB2 GLU A 49 4.437 -5.719 0.496 1.00 2.53 H new ATOM 0 HB3 GLU A 49 2.948 -6.640 0.421 1.00 2.53 H new ATOM 0 HG2 GLU A 49 2.565 -5.888 -1.896 1.00 61.12 H new ATOM 0 HG3 GLU A 49 4.000 -4.883 -1.830 1.00 61.12 H new ATOM 808 N VAL A 50 1.046 -3.815 -1.130 1.00 65.11 N ATOM 809 CA VAL A 50 -0.246 -3.776 -1.818 1.00 41.13 C ATOM 810 C VAL A 50 -0.100 -4.036 -3.327 1.00 43.33 C ATOM 811 O VAL A 50 0.583 -3.298 -4.038 1.00 54.03 O ATOM 812 CB VAL A 50 -0.981 -2.425 -1.589 1.00 71.01 C ATOM 813 CG1 VAL A 50 -0.112 -1.242 -2.016 1.00 0.22 C ATOM 814 CG2 VAL A 50 -2.324 -2.409 -2.323 1.00 51.01 C ATOM 0 H VAL A 50 1.774 -3.258 -1.576 1.00 65.11 H new ATOM 0 HA VAL A 50 -0.846 -4.577 -1.385 1.00 41.13 H new ATOM 0 HB VAL A 50 -1.174 -2.325 -0.521 1.00 71.01 H new ATOM 0 HG11 VAL A 50 -0.653 -0.312 -1.844 1.00 0.22 H new ATOM 0 HG12 VAL A 50 0.810 -1.239 -1.434 1.00 0.22 H new ATOM 0 HG13 VAL A 50 0.128 -1.331 -3.075 1.00 0.22 H new ATOM 0 HG21 VAL A 50 -2.822 -1.455 -2.150 1.00 51.01 H new ATOM 0 HG22 VAL A 50 -2.156 -2.542 -3.392 1.00 51.01 H new ATOM 0 HG23 VAL A 50 -2.952 -3.219 -1.951 1.00 51.01 H new ATOM 824 N GLU A 51 -0.728 -5.106 -3.804 1.00 0.42 N ATOM 825 CA GLU A 51 -0.777 -5.396 -5.239 1.00 32.15 C ATOM 826 C GLU A 51 -1.888 -4.591 -5.934 1.00 70.15 C ATOM 827 O GLU A 51 -3.077 -4.795 -5.679 1.00 21.33 O ATOM 828 CB GLU A 51 -0.991 -6.898 -5.480 1.00 23.45 C ATOM 829 CG GLU A 51 -1.212 -7.256 -6.950 1.00 71.15 C ATOM 830 CD GLU A 51 -1.476 -8.736 -7.175 1.00 14.10 C ATOM 831 OE1 GLU A 51 -2.479 -9.250 -6.643 1.00 21.21 O ATOM 832 OE2 GLU A 51 -0.685 -9.382 -7.893 1.00 61.01 O ATOM 0 H GLU A 51 -1.211 -5.789 -3.220 1.00 0.42 H new ATOM 0 HA GLU A 51 0.180 -5.100 -5.668 1.00 32.15 H new ATOM 0 HB2 GLU A 51 -0.124 -7.444 -5.108 1.00 23.45 H new ATOM 0 HB3 GLU A 51 -1.851 -7.232 -4.900 1.00 23.45 H new ATOM 0 HG2 GLU A 51 -2.055 -6.681 -7.334 1.00 71.15 H new ATOM 0 HG3 GLU A 51 -0.335 -6.959 -7.525 1.00 71.15 H new ATOM 839 N VAL A 52 -1.485 -3.662 -6.795 1.00 50.04 N ATOM 840 CA VAL A 52 -2.420 -2.898 -7.623 1.00 54.04 C ATOM 841 C VAL A 52 -2.229 -3.246 -9.109 1.00 20.31 C ATOM 842 O VAL A 52 -1.192 -2.932 -9.700 1.00 62.14 O ATOM 843 CB VAL A 52 -2.234 -1.371 -7.426 1.00 32.42 C ATOM 844 CG1 VAL A 52 -3.299 -0.590 -8.195 1.00 5.31 C ATOM 845 CG2 VAL A 52 -2.264 -1.010 -5.943 1.00 73.22 C ATOM 0 H VAL A 52 -0.506 -3.416 -6.940 1.00 50.04 H new ATOM 0 HA VAL A 52 -3.429 -3.168 -7.310 1.00 54.04 H new ATOM 0 HB VAL A 52 -1.258 -1.094 -7.824 1.00 32.42 H new ATOM 0 HG11 VAL A 52 -3.148 0.479 -8.042 1.00 5.31 H new ATOM 0 HG12 VAL A 52 -3.221 -0.819 -9.258 1.00 5.31 H new ATOM 0 HG13 VAL A 52 -4.288 -0.872 -7.835 1.00 5.31 H new ATOM 0 HG21 VAL A 52 -2.132 0.066 -5.828 1.00 73.22 H new ATOM 0 HG22 VAL A 52 -3.222 -1.306 -5.516 1.00 73.22 H new ATOM 0 HG23 VAL A 52 -1.459 -1.532 -5.425 1.00 73.22 H new ATOM 855 N ASP A 53 -3.225 -3.908 -9.704 1.00 13.34 N ATOM 856 CA ASP A 53 -3.149 -4.337 -11.108 1.00 43.22 C ATOM 857 C ASP A 53 -1.887 -5.182 -11.376 1.00 11.21 C ATOM 858 O ASP A 53 -1.146 -4.937 -12.333 1.00 14.12 O ATOM 859 CB ASP A 53 -3.199 -3.113 -12.038 1.00 63.34 C ATOM 860 CG ASP A 53 -4.526 -2.378 -11.949 1.00 64.44 C ATOM 861 OD1 ASP A 53 -5.580 -3.045 -11.974 1.00 24.20 O ATOM 862 OD2 ASP A 53 -4.523 -1.134 -11.854 1.00 60.44 O ATOM 0 H ASP A 53 -4.096 -4.160 -9.237 1.00 13.34 H new ATOM 0 HA ASP A 53 -4.011 -4.971 -11.315 1.00 43.22 H new ATOM 0 HB2 ASP A 53 -2.389 -2.430 -11.781 1.00 63.34 H new ATOM 0 HB3 ASP A 53 -3.031 -3.433 -13.066 1.00 63.34 H new ATOM 867 N GLY A 54 -1.651 -6.179 -10.521 1.00 3.24 N ATOM 868 CA GLY A 54 -0.483 -7.052 -10.670 1.00 3.14 C ATOM 869 C GLY A 54 0.812 -6.453 -10.114 1.00 32.44 C ATOM 870 O GLY A 54 1.783 -7.174 -9.874 1.00 45.32 O ATOM 0 H GLY A 54 -2.247 -6.402 -9.724 1.00 3.24 H new ATOM 0 HA2 GLY A 54 -0.681 -7.997 -10.165 1.00 3.14 H new ATOM 0 HA3 GLY A 54 -0.343 -7.278 -11.727 1.00 3.14 H new ATOM 874 N GLN A 55 0.820 -5.142 -9.892 1.00 42.21 N ATOM 875 CA GLN A 55 2.023 -4.424 -9.453 1.00 51.35 C ATOM 876 C GLN A 55 2.088 -4.338 -7.919 1.00 72.31 C ATOM 877 O GLN A 55 1.207 -3.761 -7.288 1.00 2.22 O ATOM 878 CB GLN A 55 2.008 -3.009 -10.050 1.00 62.13 C ATOM 879 CG GLN A 55 1.838 -2.986 -11.566 1.00 61.44 C ATOM 880 CD GLN A 55 1.432 -1.620 -12.096 1.00 2.43 C ATOM 881 OE1 GLN A 55 2.270 -0.793 -12.444 1.00 11.33 O ATOM 882 NE2 GLN A 55 0.138 -1.372 -12.151 1.00 53.24 N ATOM 0 H GLN A 55 0.001 -4.546 -10.009 1.00 42.21 H new ATOM 0 HA GLN A 55 2.901 -4.969 -9.799 1.00 51.35 H new ATOM 0 HB2 GLN A 55 1.198 -2.440 -9.594 1.00 62.13 H new ATOM 0 HB3 GLN A 55 2.938 -2.504 -9.790 1.00 62.13 H new ATOM 0 HG2 GLN A 55 2.774 -3.289 -12.036 1.00 61.44 H new ATOM 0 HG3 GLN A 55 1.085 -3.720 -11.853 1.00 61.44 H new ATOM 0 HE21 GLN A 55 -0.531 -2.083 -11.854 1.00 53.24 H new ATOM 0 HE22 GLN A 55 -0.194 -0.470 -12.491 1.00 53.24 H new ATOM 891 N LYS A 56 3.131 -4.913 -7.322 1.00 25.23 N ATOM 892 CA LYS A 56 3.290 -4.900 -5.857 1.00 40.44 C ATOM 893 C LYS A 56 4.055 -3.657 -5.382 1.00 1.21 C ATOM 894 O LYS A 56 5.189 -3.418 -5.800 1.00 72.11 O ATOM 895 CB LYS A 56 4.023 -6.166 -5.368 1.00 12.22 C ATOM 896 CG LYS A 56 3.218 -7.460 -5.486 1.00 74.33 C ATOM 897 CD LYS A 56 2.942 -7.841 -6.937 1.00 63.40 C ATOM 898 CE LYS A 56 2.286 -9.209 -7.047 1.00 71.03 C ATOM 899 NZ LYS A 56 1.914 -9.532 -8.452 1.00 73.35 N ATOM 0 H LYS A 56 3.879 -5.393 -7.822 1.00 25.23 H new ATOM 0 HA LYS A 56 2.287 -4.877 -5.431 1.00 40.44 H new ATOM 0 HB2 LYS A 56 4.946 -6.276 -5.937 1.00 12.22 H new ATOM 0 HB3 LYS A 56 4.306 -6.025 -4.325 1.00 12.22 H new ATOM 0 HG2 LYS A 56 3.761 -8.269 -4.998 1.00 74.33 H new ATOM 0 HG3 LYS A 56 2.272 -7.346 -4.957 1.00 74.33 H new ATOM 0 HD2 LYS A 56 2.296 -7.091 -7.393 1.00 63.40 H new ATOM 0 HD3 LYS A 56 3.877 -7.840 -7.497 1.00 63.40 H new ATOM 0 HE2 LYS A 56 2.967 -9.970 -6.667 1.00 71.03 H new ATOM 0 HE3 LYS A 56 1.395 -9.237 -6.420 1.00 71.03 H new ATOM 0 HZ1 LYS A 56 0.910 -9.800 -8.492 1.00 73.35 H new ATOM 0 HZ2 LYS A 56 2.075 -8.699 -9.054 1.00 73.35 H new ATOM 0 HZ3 LYS A 56 2.497 -10.323 -8.792 1.00 73.35 H new ATOM 913 N PHE A 57 3.427 -2.873 -4.507 1.00 64.25 N ATOM 914 CA PHE A 57 4.065 -1.694 -3.909 1.00 21.53 C ATOM 915 C PHE A 57 4.167 -1.845 -2.382 1.00 63.31 C ATOM 916 O PHE A 57 3.164 -2.071 -1.707 1.00 3.35 O ATOM 917 CB PHE A 57 3.275 -0.426 -4.256 1.00 32.41 C ATOM 918 CG PHE A 57 3.167 -0.168 -5.738 1.00 44.31 C ATOM 919 CD1 PHE A 57 4.184 0.490 -6.416 1.00 42.22 C ATOM 920 CD2 PHE A 57 2.050 -0.581 -6.452 1.00 70.33 C ATOM 921 CE1 PHE A 57 4.090 0.730 -7.772 1.00 1.42 C ATOM 922 CE2 PHE A 57 1.952 -0.341 -7.810 1.00 2.52 C ATOM 923 CZ PHE A 57 2.973 0.316 -8.471 1.00 75.42 C ATOM 0 H PHE A 57 2.470 -3.032 -4.193 1.00 64.25 H new ATOM 0 HA PHE A 57 5.072 -1.609 -4.318 1.00 21.53 H new ATOM 0 HB2 PHE A 57 2.272 -0.506 -3.836 1.00 32.41 H new ATOM 0 HB3 PHE A 57 3.752 0.431 -3.780 1.00 32.41 H new ATOM 0 HD1 PHE A 57 5.060 0.818 -5.876 1.00 42.22 H new ATOM 0 HD2 PHE A 57 1.249 -1.095 -5.941 1.00 70.33 H new ATOM 0 HE1 PHE A 57 4.890 1.242 -8.287 1.00 1.42 H new ATOM 0 HE2 PHE A 57 1.078 -0.667 -8.354 1.00 2.52 H new ATOM 0 HZ PHE A 57 2.897 0.505 -9.532 1.00 75.42 H new ATOM 933 N GLN A 58 5.378 -1.716 -1.841 1.00 23.04 N ATOM 934 CA GLN A 58 5.603 -1.855 -0.393 1.00 73.31 C ATOM 935 C GLN A 58 5.750 -0.497 0.308 1.00 34.54 C ATOM 936 O GLN A 58 6.018 0.526 -0.326 1.00 13.21 O ATOM 937 CB GLN A 58 6.853 -2.708 -0.115 1.00 34.32 C ATOM 938 CG GLN A 58 6.656 -4.198 -0.370 1.00 61.34 C ATOM 939 CD GLN A 58 7.882 -5.027 -0.015 1.00 14.42 C ATOM 940 OE1 GLN A 58 8.669 -4.660 0.853 1.00 11.33 O ATOM 941 NE2 GLN A 58 8.038 -6.167 -0.657 1.00 0.13 N ATOM 0 H GLN A 58 6.221 -1.516 -2.379 1.00 23.04 H new ATOM 0 HA GLN A 58 4.721 -2.351 0.012 1.00 73.31 H new ATOM 0 HB2 GLN A 58 7.672 -2.348 -0.738 1.00 34.32 H new ATOM 0 HB3 GLN A 58 7.155 -2.564 0.922 1.00 34.32 H new ATOM 0 HG2 GLN A 58 5.804 -4.551 0.211 1.00 61.34 H new ATOM 0 HG3 GLN A 58 6.411 -4.352 -1.421 1.00 61.34 H new ATOM 0 HE21 GLN A 58 7.367 -6.445 -1.373 1.00 0.13 H new ATOM 0 HE22 GLN A 58 8.830 -6.772 -0.438 1.00 0.13 H new ATOM 950 N GLY A 59 5.574 -0.502 1.626 1.00 54.21 N ATOM 951 CA GLY A 59 5.719 0.713 2.418 1.00 4.41 C ATOM 952 C GLY A 59 6.040 0.428 3.879 1.00 74.22 C ATOM 953 O GLY A 59 5.468 -0.481 4.481 1.00 13.12 O ATOM 0 H GLY A 59 5.331 -1.332 2.166 1.00 54.21 H new ATOM 0 HA2 GLY A 59 6.510 1.328 1.990 1.00 4.41 H new ATOM 0 HA3 GLY A 59 4.798 1.292 2.359 1.00 4.41 H new ATOM 957 N ALA A 60 6.948 1.208 4.456 1.00 53.32 N ATOM 958 CA ALA A 60 7.369 1.015 5.848 1.00 74.24 C ATOM 959 C ALA A 60 6.990 2.223 6.715 1.00 61.14 C ATOM 960 O ALA A 60 7.408 3.352 6.437 1.00 21.32 O ATOM 961 CB ALA A 60 8.874 0.765 5.913 1.00 41.23 C ATOM 0 H ALA A 60 7.411 1.984 3.983 1.00 53.32 H new ATOM 0 HA ALA A 60 6.847 0.143 6.242 1.00 74.24 H new ATOM 0 HB1 ALA A 60 9.175 0.623 6.951 1.00 41.23 H new ATOM 0 HB2 ALA A 60 9.120 -0.128 5.339 1.00 41.23 H new ATOM 0 HB3 ALA A 60 9.403 1.621 5.496 1.00 41.23 H new ATOM 967 N GLY A 61 6.213 1.982 7.769 1.00 70.23 N ATOM 968 CA GLY A 61 5.749 3.067 8.632 1.00 35.22 C ATOM 969 C GLY A 61 5.768 2.720 10.118 1.00 53.10 C ATOM 970 O GLY A 61 6.033 1.577 10.499 1.00 54.34 O ATOM 0 H GLY A 61 5.893 1.053 8.045 1.00 70.23 H new ATOM 0 HA2 GLY A 61 6.374 3.945 8.465 1.00 35.22 H new ATOM 0 HA3 GLY A 61 4.733 3.339 8.344 1.00 35.22 H new ATOM 974 N SER A 62 5.466 3.715 10.959 1.00 22.32 N ATOM 975 CA SER A 62 5.481 3.548 12.427 1.00 34.33 C ATOM 976 C SER A 62 4.468 2.495 12.912 1.00 43.41 C ATOM 977 O SER A 62 4.548 2.019 14.042 1.00 70.53 O ATOM 978 CB SER A 62 5.193 4.889 13.117 1.00 3.43 C ATOM 979 OG SER A 62 6.149 5.879 12.759 1.00 74.01 O ATOM 0 H SER A 62 5.206 4.652 10.651 1.00 22.32 H new ATOM 0 HA SER A 62 6.477 3.196 12.694 1.00 34.33 H new ATOM 0 HB2 SER A 62 4.195 5.232 12.845 1.00 3.43 H new ATOM 0 HB3 SER A 62 5.199 4.751 14.198 1.00 3.43 H new ATOM 0 HG SER A 62 5.935 6.720 13.214 1.00 74.01 H new ATOM 985 N ASN A 63 3.504 2.154 12.064 1.00 42.54 N ATOM 986 CA ASN A 63 2.520 1.108 12.371 1.00 2.12 C ATOM 987 C ASN A 63 1.919 0.534 11.081 1.00 31.12 C ATOM 988 O ASN A 63 2.195 1.035 9.992 1.00 2.03 O ATOM 989 CB ASN A 63 1.409 1.643 13.287 1.00 22.44 C ATOM 990 CG ASN A 63 0.738 2.882 12.733 1.00 70.10 C ATOM 991 OD1 ASN A 63 -0.173 2.800 11.916 1.00 34.25 O ATOM 992 ND2 ASN A 63 1.167 4.040 13.190 1.00 61.44 N ATOM 0 H ASN A 63 3.378 2.588 11.149 1.00 42.54 H new ATOM 0 HA ASN A 63 3.038 0.308 12.899 1.00 2.12 H new ATOM 0 HB2 ASN A 63 0.660 0.865 13.435 1.00 22.44 H new ATOM 0 HB3 ASN A 63 1.830 1.870 14.266 1.00 22.44 H new ATOM 0 HD21 ASN A 63 0.739 4.907 12.865 1.00 61.44 H new ATOM 0 HD22 ASN A 63 1.927 4.070 13.869 1.00 61.44 H new ATOM 999 N LYS A 64 1.094 -0.508 11.204 1.00 14.54 N ATOM 1000 CA LYS A 64 0.509 -1.175 10.026 1.00 34.22 C ATOM 1001 C LYS A 64 -0.324 -0.210 9.166 1.00 42.44 C ATOM 1002 O LYS A 64 -0.236 -0.236 7.942 1.00 2.25 O ATOM 1003 CB LYS A 64 -0.340 -2.385 10.449 1.00 71.13 C ATOM 1004 CG LYS A 64 0.483 -3.511 11.068 1.00 22.14 C ATOM 1005 CD LYS A 64 -0.369 -4.729 11.430 1.00 45.33 C ATOM 1006 CE LYS A 64 0.469 -5.824 12.088 1.00 54.12 C ATOM 1007 NZ LYS A 64 -0.329 -7.037 12.418 1.00 5.42 N ATOM 0 H LYS A 64 0.814 -0.910 12.099 1.00 14.54 H new ATOM 0 HA LYS A 64 1.340 -1.524 9.413 1.00 34.22 H new ATOM 0 HB2 LYS A 64 -1.094 -2.059 11.165 1.00 71.13 H new ATOM 0 HB3 LYS A 64 -0.872 -2.769 9.579 1.00 71.13 H new ATOM 0 HG2 LYS A 64 1.264 -3.812 10.369 1.00 22.14 H new ATOM 0 HG3 LYS A 64 0.982 -3.142 11.964 1.00 22.14 H new ATOM 0 HD2 LYS A 64 -1.169 -4.427 12.106 1.00 45.33 H new ATOM 0 HD3 LYS A 64 -0.843 -5.123 10.531 1.00 45.33 H new ATOM 0 HE2 LYS A 64 1.285 -6.101 11.421 1.00 54.12 H new ATOM 0 HE3 LYS A 64 0.921 -5.432 12.999 1.00 54.12 H new ATOM 0 HZ1 LYS A 64 0.287 -7.748 12.862 1.00 5.42 H new ATOM 0 HZ2 LYS A 64 -1.093 -6.782 13.076 1.00 5.42 H new ATOM 0 HZ3 LYS A 64 -0.739 -7.430 11.547 1.00 5.42 H new ATOM 1021 N LYS A 65 -1.118 0.644 9.808 1.00 31.13 N ATOM 1022 CA LYS A 65 -1.921 1.643 9.087 1.00 64.23 C ATOM 1023 C LYS A 65 -1.023 2.602 8.285 1.00 2.00 C ATOM 1024 O LYS A 65 -1.184 2.756 7.074 1.00 41.25 O ATOM 1025 CB LYS A 65 -2.780 2.441 10.074 1.00 35.24 C ATOM 1026 CG LYS A 65 -3.703 1.580 10.933 1.00 21.22 C ATOM 1027 CD LYS A 65 -4.464 2.415 11.962 1.00 13.33 C ATOM 1028 CE LYS A 65 -3.516 3.148 12.906 1.00 10.22 C ATOM 1029 NZ LYS A 65 -4.243 3.967 13.915 1.00 0.32 N ATOM 0 H LYS A 65 -1.226 0.669 10.822 1.00 31.13 H new ATOM 0 HA LYS A 65 -2.569 1.114 8.388 1.00 64.23 H new ATOM 0 HB2 LYS A 65 -2.124 3.016 10.728 1.00 35.24 H new ATOM 0 HB3 LYS A 65 -3.383 3.158 9.517 1.00 35.24 H new ATOM 0 HG2 LYS A 65 -4.413 1.058 10.292 1.00 21.22 H new ATOM 0 HG3 LYS A 65 -3.116 0.818 11.446 1.00 21.22 H new ATOM 0 HD2 LYS A 65 -5.097 3.138 11.448 1.00 13.33 H new ATOM 0 HD3 LYS A 65 -5.124 1.768 12.539 1.00 13.33 H new ATOM 0 HE2 LYS A 65 -2.884 2.422 13.418 1.00 10.22 H new ATOM 0 HE3 LYS A 65 -2.856 3.793 12.326 1.00 10.22 H new ATOM 0 HZ1 LYS A 65 -3.557 4.446 14.533 1.00 0.32 H new ATOM 0 HZ2 LYS A 65 -4.827 4.678 13.430 1.00 0.32 H new ATOM 0 HZ3 LYS A 65 -4.854 3.350 14.488 1.00 0.32 H new ATOM 1043 N VAL A 66 -0.072 3.235 8.973 1.00 34.03 N ATOM 1044 CA VAL A 66 0.884 4.148 8.332 1.00 34.31 C ATOM 1045 C VAL A 66 1.705 3.436 7.238 1.00 71.03 C ATOM 1046 O VAL A 66 1.996 4.012 6.188 1.00 1.41 O ATOM 1047 CB VAL A 66 1.839 4.771 9.384 1.00 0.10 C ATOM 1048 CG1 VAL A 66 2.910 5.630 8.719 1.00 11.24 C ATOM 1049 CG2 VAL A 66 1.050 5.588 10.406 1.00 14.42 C ATOM 0 H VAL A 66 0.060 3.133 9.979 1.00 34.03 H new ATOM 0 HA VAL A 66 0.305 4.942 7.860 1.00 34.31 H new ATOM 0 HB VAL A 66 2.342 3.956 9.905 1.00 0.10 H new ATOM 0 HG11 VAL A 66 3.563 6.052 9.482 1.00 11.24 H new ATOM 0 HG12 VAL A 66 3.498 5.015 8.038 1.00 11.24 H new ATOM 0 HG13 VAL A 66 2.435 6.437 8.161 1.00 11.24 H new ATOM 0 HG21 VAL A 66 1.736 6.018 11.136 1.00 14.42 H new ATOM 0 HG22 VAL A 66 0.514 6.389 9.896 1.00 14.42 H new ATOM 0 HG23 VAL A 66 0.336 4.941 10.916 1.00 14.42 H new ATOM 1059 N ALA A 67 2.058 2.174 7.480 1.00 21.51 N ATOM 1060 CA ALA A 67 2.784 1.369 6.493 1.00 64.23 C ATOM 1061 C ALA A 67 1.925 1.126 5.243 1.00 41.43 C ATOM 1062 O ALA A 67 2.400 1.255 4.113 1.00 71.35 O ATOM 1063 CB ALA A 67 3.221 0.047 7.112 1.00 71.30 C ATOM 0 H ALA A 67 1.854 1.685 8.351 1.00 21.51 H new ATOM 0 HA ALA A 67 3.672 1.921 6.186 1.00 64.23 H new ATOM 0 HB1 ALA A 67 3.759 -0.542 6.369 1.00 71.30 H new ATOM 0 HB2 ALA A 67 3.874 0.242 7.963 1.00 71.30 H new ATOM 0 HB3 ALA A 67 2.343 -0.506 7.447 1.00 71.30 H new ATOM 1069 N LYS A 68 0.651 0.782 5.457 1.00 60.21 N ATOM 1070 CA LYS A 68 -0.312 0.640 4.358 1.00 22.22 C ATOM 1071 C LYS A 68 -0.466 1.960 3.593 1.00 62.12 C ATOM 1072 O LYS A 68 -0.661 1.966 2.379 1.00 52.11 O ATOM 1073 CB LYS A 68 -1.682 0.188 4.891 1.00 51.54 C ATOM 1074 CG LYS A 68 -1.697 -1.236 5.437 1.00 60.21 C ATOM 1075 CD LYS A 68 -3.038 -1.594 6.080 1.00 41.33 C ATOM 1076 CE LYS A 68 -4.193 -1.523 5.086 1.00 14.20 C ATOM 1077 NZ LYS A 68 -5.487 -1.901 5.711 1.00 71.31 N ATOM 0 H LYS A 68 0.262 0.596 6.381 1.00 60.21 H new ATOM 0 HA LYS A 68 0.071 -0.119 3.676 1.00 22.22 H new ATOM 0 HB2 LYS A 68 -1.997 0.872 5.679 1.00 51.54 H new ATOM 0 HB3 LYS A 68 -2.416 0.266 4.089 1.00 51.54 H new ATOM 0 HG2 LYS A 68 -1.485 -1.936 4.628 1.00 60.21 H new ATOM 0 HG3 LYS A 68 -0.901 -1.350 6.173 1.00 60.21 H new ATOM 0 HD2 LYS A 68 -2.982 -2.599 6.497 1.00 41.33 H new ATOM 0 HD3 LYS A 68 -3.233 -0.915 6.910 1.00 41.33 H new ATOM 0 HE2 LYS A 68 -4.265 -0.512 4.685 1.00 14.20 H new ATOM 0 HE3 LYS A 68 -3.989 -2.185 4.245 1.00 14.20 H new ATOM 0 HZ1 LYS A 68 -6.246 -1.840 5.002 1.00 71.31 H new ATOM 0 HZ2 LYS A 68 -5.427 -2.875 6.071 1.00 71.31 H new ATOM 0 HZ3 LYS A 68 -5.695 -1.253 6.498 1.00 71.31 H new ATOM 1091 N ALA A 69 -0.384 3.076 4.317 1.00 60.51 N ATOM 1092 CA ALA A 69 -0.454 4.406 3.709 1.00 41.02 C ATOM 1093 C ALA A 69 0.748 4.669 2.786 1.00 24.34 C ATOM 1094 O ALA A 69 0.582 5.152 1.668 1.00 45.34 O ATOM 1095 CB ALA A 69 -0.546 5.472 4.794 1.00 54.15 C ATOM 0 H ALA A 69 -0.268 3.086 5.330 1.00 60.51 H new ATOM 0 HA ALA A 69 -1.352 4.450 3.093 1.00 41.02 H new ATOM 0 HB1 ALA A 69 -0.598 6.458 4.332 1.00 54.15 H new ATOM 0 HB2 ALA A 69 -1.441 5.305 5.393 1.00 54.15 H new ATOM 0 HB3 ALA A 69 0.335 5.417 5.434 1.00 54.15 H new ATOM 1101 N TYR A 70 1.956 4.345 3.254 1.00 1.23 N ATOM 1102 CA TYR A 70 3.166 4.488 2.429 1.00 30.25 C ATOM 1103 C TYR A 70 3.145 3.541 1.219 1.00 12.30 C ATOM 1104 O TYR A 70 3.596 3.904 0.131 1.00 5.00 O ATOM 1105 CB TYR A 70 4.432 4.243 3.264 1.00 15.45 C ATOM 1106 CG TYR A 70 4.819 5.414 4.151 1.00 72.45 C ATOM 1107 CD1 TYR A 70 5.116 6.654 3.596 1.00 20.31 C ATOM 1108 CD2 TYR A 70 4.888 5.281 5.534 1.00 73.33 C ATOM 1109 CE1 TYR A 70 5.471 7.725 4.391 1.00 3.44 C ATOM 1110 CE2 TYR A 70 5.244 6.350 6.335 1.00 22.21 C ATOM 1111 CZ TYR A 70 5.532 7.568 5.759 1.00 54.32 C ATOM 1112 OH TYR A 70 5.886 8.635 6.554 1.00 40.00 O ATOM 0 H TYR A 70 2.126 3.984 4.193 1.00 1.23 H new ATOM 0 HA TYR A 70 3.180 5.513 2.057 1.00 30.25 H new ATOM 0 HB2 TYR A 70 4.280 3.362 3.888 1.00 15.45 H new ATOM 0 HB3 TYR A 70 5.261 4.019 2.593 1.00 15.45 H new ATOM 0 HD1 TYR A 70 5.068 6.781 2.525 1.00 20.31 H new ATOM 0 HD2 TYR A 70 4.660 4.328 5.989 1.00 73.33 H new ATOM 0 HE1 TYR A 70 5.700 8.681 3.944 1.00 3.44 H new ATOM 0 HE2 TYR A 70 5.296 6.231 7.407 1.00 22.21 H new ATOM 0 HH TYR A 70 5.880 8.358 7.494 1.00 40.00 H new ATOM 1122 N ALA A 71 2.638 2.327 1.416 1.00 41.24 N ATOM 1123 CA ALA A 71 2.485 1.371 0.313 1.00 70.31 C ATOM 1124 C ALA A 71 1.452 1.870 -0.706 1.00 75.31 C ATOM 1125 O ALA A 71 1.683 1.845 -1.919 1.00 22.24 O ATOM 1126 CB ALA A 71 2.085 0.004 0.856 1.00 71.12 C ATOM 0 H ALA A 71 2.326 1.979 2.323 1.00 41.24 H new ATOM 0 HA ALA A 71 3.443 1.279 -0.198 1.00 70.31 H new ATOM 0 HB1 ALA A 71 1.974 -0.698 0.029 1.00 71.12 H new ATOM 0 HB2 ALA A 71 2.856 -0.357 1.537 1.00 71.12 H new ATOM 0 HB3 ALA A 71 1.139 0.087 1.390 1.00 71.12 H new ATOM 1132 N ALA A 72 0.315 2.340 -0.198 1.00 40.14 N ATOM 1133 CA ALA A 72 -0.758 2.870 -1.040 1.00 71.35 C ATOM 1134 C ALA A 72 -0.316 4.138 -1.791 1.00 2.34 C ATOM 1135 O ALA A 72 -0.673 4.329 -2.949 1.00 50.22 O ATOM 1136 CB ALA A 72 -1.998 3.148 -0.201 1.00 52.32 C ATOM 0 H ALA A 72 0.111 2.365 0.801 1.00 40.14 H new ATOM 0 HA ALA A 72 -1.000 2.115 -1.788 1.00 71.35 H new ATOM 0 HB1 ALA A 72 -2.789 3.542 -0.840 1.00 52.32 H new ATOM 0 HB2 ALA A 72 -2.336 2.223 0.266 1.00 52.32 H new ATOM 0 HB3 ALA A 72 -1.758 3.878 0.572 1.00 52.32 H new ATOM 1142 N LEU A 73 0.457 5.003 -1.127 1.00 65.25 N ATOM 1143 CA LEU A 73 1.037 6.187 -1.787 1.00 12.44 C ATOM 1144 C LEU A 73 2.003 5.770 -2.902 1.00 73.10 C ATOM 1145 O LEU A 73 1.984 6.336 -3.991 1.00 71.24 O ATOM 1146 CB LEU A 73 1.763 7.085 -0.766 1.00 44.22 C ATOM 1147 CG LEU A 73 0.851 7.955 0.116 1.00 73.31 C ATOM 1148 CD1 LEU A 73 1.667 8.722 1.156 1.00 33.51 C ATOM 1149 CD2 LEU A 73 0.030 8.919 -0.743 1.00 23.23 C ATOM 0 H LEU A 73 0.697 4.911 -0.140 1.00 65.25 H new ATOM 0 HA LEU A 73 0.219 6.756 -2.229 1.00 12.44 H new ATOM 0 HB2 LEU A 73 2.370 6.452 -0.118 1.00 44.22 H new ATOM 0 HB3 LEU A 73 2.448 7.739 -1.306 1.00 44.22 H new ATOM 0 HG LEU A 73 0.163 7.295 0.645 1.00 73.31 H new ATOM 0 HD11 LEU A 73 0.999 9.329 1.767 1.00 33.51 H new ATOM 0 HD12 LEU A 73 2.200 8.016 1.793 1.00 33.51 H new ATOM 0 HD13 LEU A 73 2.385 9.368 0.651 1.00 33.51 H new ATOM 0 HD21 LEU A 73 -0.608 9.525 -0.100 1.00 23.23 H new ATOM 0 HD22 LEU A 73 0.702 9.569 -1.304 1.00 23.23 H new ATOM 0 HD23 LEU A 73 -0.589 8.351 -1.437 1.00 23.23 H new ATOM 1161 N ALA A 74 2.836 4.767 -2.628 1.00 2.13 N ATOM 1162 CA ALA A 74 3.755 4.231 -3.641 1.00 35.44 C ATOM 1163 C ALA A 74 2.993 3.744 -4.884 1.00 4.44 C ATOM 1164 O ALA A 74 3.521 3.757 -5.996 1.00 35.23 O ATOM 1165 CB ALA A 74 4.590 3.101 -3.053 1.00 61.45 C ATOM 0 H ALA A 74 2.896 4.309 -1.719 1.00 2.13 H new ATOM 0 HA ALA A 74 4.420 5.037 -3.951 1.00 35.44 H new ATOM 0 HB1 ALA A 74 5.266 2.714 -3.815 1.00 61.45 H new ATOM 0 HB2 ALA A 74 5.170 3.478 -2.211 1.00 61.45 H new ATOM 0 HB3 ALA A 74 3.932 2.302 -2.712 1.00 61.45 H new ATOM 1171 N ALA A 75 1.752 3.308 -4.679 1.00 33.14 N ATOM 1172 CA ALA A 75 0.877 2.892 -5.778 1.00 25.22 C ATOM 1173 C ALA A 75 0.204 4.099 -6.454 1.00 14.03 C ATOM 1174 O ALA A 75 0.310 4.283 -7.666 1.00 30.01 O ATOM 1175 CB ALA A 75 -0.178 1.921 -5.261 1.00 71.22 C ATOM 0 H ALA A 75 1.325 3.233 -3.756 1.00 33.14 H new ATOM 0 HA ALA A 75 1.491 2.394 -6.528 1.00 25.22 H new ATOM 0 HB1 ALA A 75 -0.825 1.616 -6.083 1.00 71.22 H new ATOM 0 HB2 ALA A 75 0.311 1.043 -4.839 1.00 71.22 H new ATOM 0 HB3 ALA A 75 -0.775 2.409 -4.491 1.00 71.22 H new ATOM 1181 N LEU A 76 -0.485 4.919 -5.657 1.00 21.12 N ATOM 1182 CA LEU A 76 -1.200 6.099 -6.164 1.00 23.14 C ATOM 1183 C LEU A 76 -0.272 7.068 -6.910 1.00 24.31 C ATOM 1184 O LEU A 76 -0.537 7.430 -8.049 1.00 62.22 O ATOM 1185 CB LEU A 76 -1.911 6.826 -5.012 1.00 55.11 C ATOM 1186 CG LEU A 76 -3.171 6.128 -4.475 1.00 65.02 C ATOM 1187 CD1 LEU A 76 -3.746 6.889 -3.286 1.00 35.45 C ATOM 1188 CD2 LEU A 76 -4.223 5.986 -5.576 1.00 64.31 C ATOM 0 H LEU A 76 -0.565 4.788 -4.649 1.00 21.12 H new ATOM 0 HA LEU A 76 -1.940 5.744 -6.881 1.00 23.14 H new ATOM 0 HB2 LEU A 76 -1.205 6.948 -4.191 1.00 55.11 H new ATOM 0 HB3 LEU A 76 -2.185 7.826 -5.349 1.00 55.11 H new ATOM 0 HG LEU A 76 -2.887 5.131 -4.140 1.00 65.02 H new ATOM 0 HD11 LEU A 76 -4.637 6.377 -2.923 1.00 35.45 H new ATOM 0 HD12 LEU A 76 -3.003 6.934 -2.489 1.00 35.45 H new ATOM 0 HD13 LEU A 76 -4.010 7.901 -3.595 1.00 35.45 H new ATOM 0 HD21 LEU A 76 -5.106 5.489 -5.174 1.00 64.31 H new ATOM 0 HD22 LEU A 76 -4.499 6.974 -5.945 1.00 64.31 H new ATOM 0 HD23 LEU A 76 -3.815 5.393 -6.395 1.00 64.31 H new ATOM 1200 N GLU A 77 0.823 7.467 -6.276 1.00 15.34 N ATOM 1201 CA GLU A 77 1.769 8.416 -6.881 1.00 42.01 C ATOM 1202 C GLU A 77 2.451 7.830 -8.137 1.00 24.14 C ATOM 1203 O GLU A 77 3.095 8.552 -8.896 1.00 10.14 O ATOM 1204 CB GLU A 77 2.827 8.840 -5.851 1.00 4.53 C ATOM 1205 CG GLU A 77 2.241 9.434 -4.568 1.00 13.54 C ATOM 1206 CD GLU A 77 1.436 10.708 -4.802 1.00 50.25 C ATOM 1207 OE1 GLU A 77 2.039 11.803 -4.820 1.00 15.13 O ATOM 1208 OE2 GLU A 77 0.201 10.626 -4.953 1.00 52.04 O ATOM 0 H GLU A 77 1.085 7.152 -5.342 1.00 15.34 H new ATOM 0 HA GLU A 77 1.200 9.291 -7.195 1.00 42.01 H new ATOM 0 HB2 GLU A 77 3.436 7.974 -5.593 1.00 4.53 H new ATOM 0 HB3 GLU A 77 3.492 9.573 -6.308 1.00 4.53 H new ATOM 0 HG2 GLU A 77 1.601 8.691 -4.092 1.00 13.54 H new ATOM 0 HG3 GLU A 77 3.052 9.648 -3.872 1.00 13.54 H new ATOM 1215 N LYS A 78 2.318 6.517 -8.337 1.00 42.22 N ATOM 1216 CA LYS A 78 2.909 5.837 -9.499 1.00 3.54 C ATOM 1217 C LYS A 78 1.880 5.683 -10.640 1.00 21.01 C ATOM 1218 O LYS A 78 2.139 6.080 -11.777 1.00 73.14 O ATOM 1219 CB LYS A 78 3.464 4.465 -9.059 1.00 62.22 C ATOM 1220 CG LYS A 78 4.339 3.744 -10.093 1.00 54.44 C ATOM 1221 CD LYS A 78 3.520 2.974 -11.129 1.00 41.03 C ATOM 1222 CE LYS A 78 4.409 2.226 -12.114 1.00 61.23 C ATOM 1223 NZ LYS A 78 5.296 3.144 -12.876 1.00 74.34 N ATOM 0 H LYS A 78 1.805 5.899 -7.709 1.00 42.22 H new ATOM 0 HA LYS A 78 3.727 6.444 -9.887 1.00 3.54 H new ATOM 0 HB2 LYS A 78 4.047 4.604 -8.149 1.00 62.22 H new ATOM 0 HB3 LYS A 78 2.625 3.818 -8.804 1.00 62.22 H new ATOM 0 HG2 LYS A 78 4.967 4.474 -10.603 1.00 54.44 H new ATOM 0 HG3 LYS A 78 5.007 3.053 -9.578 1.00 54.44 H new ATOM 0 HD2 LYS A 78 2.865 2.266 -10.621 1.00 41.03 H new ATOM 0 HD3 LYS A 78 2.879 3.667 -11.673 1.00 41.03 H new ATOM 0 HE2 LYS A 78 5.017 1.500 -11.574 1.00 61.23 H new ATOM 0 HE3 LYS A 78 3.786 1.664 -12.810 1.00 61.23 H new ATOM 0 HZ1 LYS A 78 5.758 2.620 -13.647 1.00 74.34 H new ATOM 0 HZ2 LYS A 78 4.731 3.921 -13.275 1.00 74.34 H new ATOM 0 HZ3 LYS A 78 6.021 3.534 -12.240 1.00 74.34 H new ATOM 1237 N LEU A 79 0.717 5.108 -10.333 1.00 61.30 N ATOM 1238 CA LEU A 79 -0.324 4.870 -11.350 1.00 63.41 C ATOM 1239 C LEU A 79 -1.226 6.100 -11.565 1.00 54.21 C ATOM 1240 O LEU A 79 -1.826 6.259 -12.630 1.00 4.24 O ATOM 1241 CB LEU A 79 -1.178 3.652 -10.965 1.00 4.13 C ATOM 1242 CG LEU A 79 -0.427 2.309 -10.929 1.00 72.23 C ATOM 1243 CD1 LEU A 79 -1.370 1.166 -10.558 1.00 71.22 C ATOM 1244 CD2 LEU A 79 0.246 2.036 -12.272 1.00 40.22 C ATOM 0 H LEU A 79 0.467 4.797 -9.394 1.00 61.30 H new ATOM 0 HA LEU A 79 0.188 4.673 -12.292 1.00 63.41 H new ATOM 0 HB2 LEU A 79 -1.616 3.831 -9.983 1.00 4.13 H new ATOM 0 HB3 LEU A 79 -2.004 3.569 -11.672 1.00 4.13 H new ATOM 0 HG LEU A 79 0.345 2.372 -10.162 1.00 72.23 H new ATOM 0 HD11 LEU A 79 -0.815 0.228 -10.539 1.00 71.22 H new ATOM 0 HD12 LEU A 79 -1.799 1.353 -9.574 1.00 71.22 H new ATOM 0 HD13 LEU A 79 -2.170 1.100 -11.296 1.00 71.22 H new ATOM 0 HD21 LEU A 79 0.772 1.082 -12.228 1.00 40.22 H new ATOM 0 HD22 LEU A 79 -0.510 1.998 -13.057 1.00 40.22 H new ATOM 0 HD23 LEU A 79 0.957 2.833 -12.491 1.00 40.22 H new ATOM 1256 N PHE A 80 -1.320 6.961 -10.554 1.00 62.32 N ATOM 1257 CA PHE A 80 -2.122 8.194 -10.636 1.00 2.43 C ATOM 1258 C PHE A 80 -1.345 9.392 -10.045 1.00 62.01 C ATOM 1259 O PHE A 80 -1.779 10.001 -9.065 1.00 40.30 O ATOM 1260 CB PHE A 80 -3.452 8.025 -9.876 1.00 15.14 C ATOM 1261 CG PHE A 80 -4.209 6.758 -10.210 1.00 45.51 C ATOM 1262 CD1 PHE A 80 -4.991 6.675 -11.353 1.00 1.10 C ATOM 1263 CD2 PHE A 80 -4.140 5.651 -9.371 1.00 32.41 C ATOM 1264 CE1 PHE A 80 -5.683 5.515 -11.654 1.00 11.14 C ATOM 1265 CE2 PHE A 80 -4.830 4.492 -9.668 1.00 21.25 C ATOM 1266 CZ PHE A 80 -5.604 4.424 -10.811 1.00 40.04 C ATOM 0 H PHE A 80 -0.849 6.831 -9.659 1.00 62.32 H new ATOM 0 HA PHE A 80 -2.330 8.388 -11.688 1.00 2.43 H new ATOM 0 HB2 PHE A 80 -3.248 8.040 -8.805 1.00 15.14 H new ATOM 0 HB3 PHE A 80 -4.090 8.882 -10.091 1.00 15.14 H new ATOM 0 HD1 PHE A 80 -5.060 7.525 -12.015 1.00 1.10 H new ATOM 0 HD2 PHE A 80 -3.539 5.698 -8.475 1.00 32.41 H new ATOM 0 HE1 PHE A 80 -6.285 5.463 -12.549 1.00 11.14 H new ATOM 0 HE2 PHE A 80 -4.765 3.640 -9.008 1.00 21.25 H new ATOM 0 HZ PHE A 80 -6.146 3.519 -11.044 1.00 40.04 H new