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 USER MOD Set 1.2: A 63 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.6) USER MOD Set 2.1: A 55 GLN : amide:sc= -0.303 K(o=0.78,f=-5.6) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -131:sc= 1.09 (180deg=-0.111) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.689 K(o=0.66,f=-0.026) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 18 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.5) USER MOD Single : A 21 MET CE :methyl -177:sc= -1.44 (180deg=-1.52) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -103:sc= -2.18! (180deg=-4.86!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -170:sc= -0.12 (180deg=-0.397) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= 1.79 (180deg=0.641) USER MOD Single : A 58 GLN : amide:sc= 0.701 K(o=0.7,f=-0.63) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= -0.805 (180deg=-0.805) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.748 9.654 2.326 1.00 43.31 N ATOM 284 CA ASN A 18 -6.791 8.596 2.713 1.00 33.43 C ATOM 285 C ASN A 18 -6.355 7.736 1.505 1.00 14.00 C ATOM 286 O ASN A 18 -7.190 7.242 0.745 1.00 70.01 O ATOM 287 CB ASN A 18 -7.378 7.713 3.829 1.00 74.00 C ATOM 288 CG ASN A 18 -6.432 6.604 4.260 1.00 44.21 C ATOM 289 OD1 ASN A 18 -6.493 5.488 3.755 1.00 74.01 O ATOM 290 ND2 ASN A 18 -5.536 6.906 5.181 1.00 21.41 N ATOM 0 HA ASN A 18 -5.898 9.091 3.094 1.00 33.43 H new ATOM 0 HB2 ASN A 18 -7.617 8.336 4.691 1.00 74.00 H new ATOM 0 HB3 ASN A 18 -8.314 7.273 3.484 1.00 74.00 H new ATOM 0 HD21 ASN A 18 -4.868 6.201 5.493 1.00 21.41 H new ATOM 0 HD22 ASN A 18 -5.512 7.844 5.581 1.00 21.41 H new ATOM 297 N PRO A 19 -5.031 7.524 1.328 1.00 61.12 N ATOM 298 CA PRO A 19 -4.490 6.813 0.152 1.00 64.31 C ATOM 299 C PRO A 19 -5.035 5.383 -0.006 1.00 21.41 C ATOM 300 O PRO A 19 -5.293 4.930 -1.119 1.00 63.32 O ATOM 301 CB PRO A 19 -2.969 6.793 0.412 1.00 11.42 C ATOM 302 CG PRO A 19 -2.824 7.033 1.878 1.00 40.31 C ATOM 303 CD PRO A 19 -3.957 7.945 2.253 1.00 41.22 C ATOM 0 HA PRO A 19 -4.775 7.309 -0.776 1.00 64.31 H new ATOM 0 HB2 PRO A 19 -2.532 5.837 0.124 1.00 11.42 H new ATOM 0 HB3 PRO A 19 -2.460 7.564 -0.166 1.00 11.42 H new ATOM 0 HG2 PRO A 19 -2.873 6.097 2.435 1.00 40.31 H new ATOM 0 HG3 PRO A 19 -1.861 7.490 2.107 1.00 40.31 H new ATOM 0 HD2 PRO A 19 -4.249 7.821 3.296 1.00 41.22 H new ATOM 0 HD3 PRO A 19 -3.694 8.994 2.118 1.00 41.22 H new ATOM 311 N VAL A 20 -5.217 4.683 1.111 1.00 63.23 N ATOM 312 CA VAL A 20 -5.678 3.289 1.083 1.00 41.14 C ATOM 313 C VAL A 20 -7.086 3.164 0.477 1.00 64.32 C ATOM 314 O VAL A 20 -7.285 2.480 -0.530 1.00 41.14 O ATOM 315 CB VAL A 20 -5.675 2.667 2.505 1.00 32.31 C ATOM 316 CG1 VAL A 20 -6.122 1.205 2.468 1.00 33.52 C ATOM 317 CG2 VAL A 20 -4.295 2.795 3.152 1.00 10.23 C ATOM 0 H VAL A 20 -5.054 5.053 2.047 1.00 63.23 H new ATOM 0 HA VAL A 20 -4.978 2.743 0.451 1.00 41.14 H new ATOM 0 HB VAL A 20 -6.390 3.221 3.113 1.00 32.31 H new ATOM 0 HG11 VAL A 20 -6.110 0.795 3.478 1.00 33.52 H new ATOM 0 HG12 VAL A 20 -7.132 1.144 2.063 1.00 33.52 H new ATOM 0 HG13 VAL A 20 -5.443 0.633 1.836 1.00 33.52 H new ATOM 0 HG21 VAL A 20 -4.318 2.352 4.148 1.00 10.23 H new ATOM 0 HG22 VAL A 20 -3.557 2.276 2.541 1.00 10.23 H new ATOM 0 HG23 VAL A 20 -4.026 3.848 3.229 1.00 10.23 H new ATOM 327 N MET A 21 -8.060 3.843 1.078 1.00 13.00 N ATOM 328 CA MET A 21 -9.455 3.748 0.628 1.00 14.31 C ATOM 329 C MET A 21 -9.632 4.293 -0.799 1.00 60.23 C ATOM 330 O MET A 21 -10.367 3.710 -1.601 1.00 12.21 O ATOM 331 CB MET A 21 -10.383 4.485 1.602 1.00 52.11 C ATOM 332 CG MET A 21 -10.384 3.892 3.006 1.00 41.50 C ATOM 333 SD MET A 21 -11.531 4.727 4.122 1.00 13.00 S ATOM 334 CE MET A 21 -10.889 6.400 4.085 1.00 53.22 C ATOM 0 H MET A 21 -7.915 4.463 1.875 1.00 13.00 H new ATOM 0 HA MET A 21 -9.725 2.692 0.612 1.00 14.31 H new ATOM 0 HB2 MET A 21 -10.081 5.531 1.658 1.00 52.11 H new ATOM 0 HB3 MET A 21 -11.399 4.467 1.208 1.00 52.11 H new ATOM 0 HG2 MET A 21 -10.646 2.835 2.948 1.00 41.50 H new ATOM 0 HG3 MET A 21 -9.377 3.949 3.419 1.00 41.50 H new ATOM 0 HE1 MET A 21 -11.462 7.025 4.770 1.00 53.22 H new ATOM 0 HE2 MET A 21 -9.842 6.395 4.389 1.00 53.22 H new ATOM 0 HE3 MET A 21 -10.971 6.799 3.074 1.00 53.22 H new ATOM 344 N GLU A 22 -8.955 5.402 -1.115 1.00 60.21 N ATOM 345 CA GLU A 22 -8.988 5.963 -2.474 1.00 45.33 C ATOM 346 C GLU A 22 -8.430 4.969 -3.499 1.00 65.23 C ATOM 347 O GLU A 22 -9.071 4.675 -4.507 1.00 45.43 O ATOM 348 CB GLU A 22 -8.191 7.273 -2.554 1.00 41.52 C ATOM 349 CG GLU A 22 -8.114 7.836 -3.972 1.00 50.11 C ATOM 350 CD GLU A 22 -7.342 9.138 -4.059 1.00 13.22 C ATOM 351 OE1 GLU A 22 -7.941 10.205 -3.805 1.00 72.33 O ATOM 352 OE2 GLU A 22 -6.143 9.105 -4.403 1.00 63.21 O ATOM 0 H GLU A 22 -8.381 5.927 -0.455 1.00 60.21 H new ATOM 0 HA GLU A 22 -10.033 6.167 -2.709 1.00 45.33 H new ATOM 0 HB2 GLU A 22 -8.651 8.013 -1.899 1.00 41.52 H new ATOM 0 HB3 GLU A 22 -7.181 7.101 -2.181 1.00 41.52 H new ATOM 0 HG2 GLU A 22 -7.644 7.099 -4.623 1.00 50.11 H new ATOM 0 HG3 GLU A 22 -9.125 7.995 -4.348 1.00 50.11 H new ATOM 359 N LEU A 23 -7.232 4.454 -3.230 1.00 52.15 N ATOM 360 CA LEU A 23 -6.576 3.494 -4.124 1.00 51.13 C ATOM 361 C LEU A 23 -7.471 2.268 -4.383 1.00 55.14 C ATOM 362 O LEU A 23 -7.476 1.714 -5.480 1.00 64.33 O ATOM 363 CB LEU A 23 -5.236 3.059 -3.520 1.00 73.31 C ATOM 364 CG LEU A 23 -4.344 2.186 -4.417 1.00 74.54 C ATOM 365 CD1 LEU A 23 -3.912 2.953 -5.663 1.00 63.55 C ATOM 366 CD2 LEU A 23 -3.134 1.685 -3.630 1.00 30.10 C ATOM 0 H LEU A 23 -6.691 4.685 -2.397 1.00 52.15 H new ATOM 0 HA LEU A 23 -6.399 3.982 -5.082 1.00 51.13 H new ATOM 0 HB2 LEU A 23 -4.677 3.953 -3.245 1.00 73.31 H new ATOM 0 HB3 LEU A 23 -5.436 2.513 -2.598 1.00 73.31 H new ATOM 0 HG LEU A 23 -4.920 1.321 -4.745 1.00 74.54 H new ATOM 0 HD11 LEU A 23 -3.282 2.315 -6.283 1.00 63.55 H new ATOM 0 HD12 LEU A 23 -4.794 3.252 -6.230 1.00 63.55 H new ATOM 0 HD13 LEU A 23 -3.352 3.840 -5.368 1.00 63.55 H new ATOM 0 HD21 LEU A 23 -2.510 1.068 -4.276 1.00 30.10 H new ATOM 0 HD22 LEU A 23 -2.555 2.536 -3.272 1.00 30.10 H new ATOM 0 HD23 LEU A 23 -3.473 1.093 -2.780 1.00 30.10 H new ATOM 378 N ASN A 24 -8.231 1.861 -3.364 1.00 51.31 N ATOM 379 CA ASN A 24 -9.202 0.762 -3.499 1.00 32.15 C ATOM 380 C ASN A 24 -10.352 1.120 -4.464 1.00 31.10 C ATOM 381 O ASN A 24 -10.976 0.237 -5.054 1.00 10.12 O ATOM 382 CB ASN A 24 -9.754 0.380 -2.117 1.00 24.33 C ATOM 383 CG ASN A 24 -8.908 -0.678 -1.424 1.00 43.11 C ATOM 384 OD1 ASN A 24 -9.191 -1.870 -1.505 1.00 55.34 O ATOM 385 ND2 ASN A 24 -7.858 -0.257 -0.752 1.00 33.54 N ATOM 0 H ASN A 24 -8.196 2.274 -2.432 1.00 51.31 H new ATOM 0 HA ASN A 24 -8.680 -0.093 -3.928 1.00 32.15 H new ATOM 0 HB2 ASN A 24 -9.802 1.270 -1.490 1.00 24.33 H new ATOM 0 HB3 ASN A 24 -10.774 0.011 -2.226 1.00 24.33 H new ATOM 0 HD21 ASN A 24 -7.252 -0.928 -0.280 1.00 33.54 H new ATOM 0 HD22 ASN A 24 -7.650 0.740 -0.704 1.00 33.54 H new ATOM 392 N GLU A 25 -10.638 2.416 -4.610 1.00 20.53 N ATOM 393 CA GLU A 25 -11.633 2.884 -5.585 1.00 40.11 C ATOM 394 C GLU A 25 -10.998 3.099 -6.970 1.00 62.45 C ATOM 395 O GLU A 25 -11.642 2.898 -8.000 1.00 2.14 O ATOM 396 CB GLU A 25 -12.293 4.188 -5.108 1.00 11.12 C ATOM 397 CG GLU A 25 -13.128 4.028 -3.842 1.00 55.34 C ATOM 398 CD GLU A 25 -13.833 5.313 -3.432 1.00 3.23 C ATOM 399 OE1 GLU A 25 -14.807 5.704 -4.111 1.00 41.10 O ATOM 400 OE2 GLU A 25 -13.427 5.932 -2.422 1.00 43.03 O ATOM 0 H GLU A 25 -10.198 3.160 -4.069 1.00 20.53 H new ATOM 0 HA GLU A 25 -12.396 2.110 -5.670 1.00 40.11 H new ATOM 0 HB2 GLU A 25 -11.517 4.932 -4.929 1.00 11.12 H new ATOM 0 HB3 GLU A 25 -12.928 4.575 -5.905 1.00 11.12 H new ATOM 0 HG2 GLU A 25 -13.871 3.246 -3.999 1.00 55.34 H new ATOM 0 HG3 GLU A 25 -12.484 3.697 -3.027 1.00 55.34 H new ATOM 407 N LYS A 26 -9.733 3.514 -6.987 1.00 44.22 N ATOM 408 CA LYS A 26 -8.992 3.705 -8.241 1.00 22.34 C ATOM 409 C LYS A 26 -8.727 2.353 -8.929 1.00 21.05 C ATOM 410 O LYS A 26 -8.869 2.220 -10.147 1.00 52.51 O ATOM 411 CB LYS A 26 -7.665 4.433 -7.968 1.00 13.44 C ATOM 412 CG LYS A 26 -7.830 5.811 -7.328 1.00 12.31 C ATOM 413 CD LYS A 26 -8.596 6.777 -8.231 1.00 1.10 C ATOM 414 CE LYS A 26 -7.816 7.125 -9.497 1.00 10.15 C ATOM 415 NZ LYS A 26 -8.603 7.989 -10.418 1.00 55.02 N ATOM 0 H LYS A 26 -9.195 3.726 -6.147 1.00 44.22 H new ATOM 0 HA LYS A 26 -9.599 4.316 -8.909 1.00 22.34 H new ATOM 0 HB2 LYS A 26 -7.050 3.813 -7.316 1.00 13.44 H new ATOM 0 HB3 LYS A 26 -7.123 4.543 -8.907 1.00 13.44 H new ATOM 0 HG2 LYS A 26 -8.356 5.709 -6.379 1.00 12.31 H new ATOM 0 HG3 LYS A 26 -6.847 6.226 -7.105 1.00 12.31 H new ATOM 0 HD2 LYS A 26 -9.553 6.333 -8.506 1.00 1.10 H new ATOM 0 HD3 LYS A 26 -8.816 7.691 -7.679 1.00 1.10 H new ATOM 0 HE2 LYS A 26 -6.891 7.634 -9.225 1.00 10.15 H new ATOM 0 HE3 LYS A 26 -7.535 6.207 -10.013 1.00 10.15 H new ATOM 0 HZ1 LYS A 26 -8.036 8.201 -11.264 1.00 55.02 H new ATOM 0 HZ2 LYS A 26 -9.473 7.494 -10.699 1.00 55.02 H new ATOM 0 HZ3 LYS A 26 -8.850 8.876 -9.935 1.00 55.02 H new ATOM 429 N ARG A 27 -8.332 1.364 -8.129 1.00 33.43 N ATOM 430 CA ARG A 27 -8.156 -0.019 -8.591 1.00 1.52 C ATOM 431 C ARG A 27 -8.904 -0.984 -7.656 1.00 62.14 C ATOM 432 O ARG A 27 -8.471 -1.233 -6.532 1.00 3.31 O ATOM 433 CB ARG A 27 -6.664 -0.386 -8.653 1.00 43.20 C ATOM 434 CG ARG A 27 -5.877 0.380 -9.714 1.00 15.13 C ATOM 435 CD ARG A 27 -6.375 0.074 -11.124 1.00 43.24 C ATOM 436 NE ARG A 27 -5.624 0.798 -12.151 1.00 12.21 N ATOM 437 CZ ARG A 27 -5.919 0.772 -13.425 1.00 64.41 C ATOM 438 NH1 ARG A 27 -6.920 0.075 -13.856 1.00 40.42 N ATOM 439 NH2 ARG A 27 -5.205 1.447 -14.265 1.00 43.23 N ATOM 0 H ARG A 27 -8.124 1.496 -7.139 1.00 33.43 H new ATOM 0 HA ARG A 27 -8.570 -0.105 -9.595 1.00 1.52 H new ATOM 0 HB2 ARG A 27 -6.214 -0.200 -7.678 1.00 43.20 H new ATOM 0 HB3 ARG A 27 -6.571 -1.454 -8.848 1.00 43.20 H new ATOM 0 HG2 ARG A 27 -5.959 1.450 -9.524 1.00 15.13 H new ATOM 0 HG3 ARG A 27 -4.820 0.123 -9.638 1.00 15.13 H new ATOM 0 HD2 ARG A 27 -6.298 -0.997 -11.309 1.00 43.24 H new ATOM 0 HD3 ARG A 27 -7.431 0.335 -11.198 1.00 43.24 H new ATOM 0 HE ARG A 27 -4.823 1.356 -11.855 1.00 12.21 H new ATOM 0 HH11 ARG A 27 -7.488 -0.461 -13.200 1.00 40.42 H new ATOM 0 HH12 ARG A 27 -7.141 0.062 -14.852 1.00 40.42 H new ATOM 0 HH21 ARG A 27 -4.413 1.998 -13.934 1.00 43.23 H new ATOM 0 HH22 ARG A 27 -5.433 1.428 -15.259 1.00 43.23 H new ATOM 453 N ARG A 28 -10.026 -1.521 -8.128 1.00 34.25 N ATOM 454 CA ARG A 28 -10.913 -2.344 -7.295 1.00 45.14 C ATOM 455 C ARG A 28 -10.288 -3.708 -6.940 1.00 51.33 C ATOM 456 O ARG A 28 -9.695 -4.379 -7.790 1.00 2.21 O ATOM 457 CB ARG A 28 -12.255 -2.563 -8.015 1.00 12.33 C ATOM 458 CG ARG A 28 -12.910 -1.278 -8.528 1.00 63.04 C ATOM 459 CD ARG A 28 -13.229 -0.295 -7.402 1.00 5.53 C ATOM 460 NE ARG A 28 -14.132 -0.870 -6.405 1.00 70.32 N ATOM 461 CZ ARG A 28 -14.955 -0.174 -5.665 1.00 25.24 C ATOM 462 NH1 ARG A 28 -15.063 1.107 -5.816 1.00 33.23 N ATOM 463 NH2 ARG A 28 -15.697 -0.774 -4.790 1.00 44.05 N ATOM 0 H ARG A 28 -10.348 -1.403 -9.089 1.00 34.25 H new ATOM 0 HA ARG A 28 -11.072 -1.803 -6.362 1.00 45.14 H new ATOM 0 HB2 ARG A 28 -12.097 -3.238 -8.856 1.00 12.33 H new ATOM 0 HB3 ARG A 28 -12.944 -3.061 -7.332 1.00 12.33 H new ATOM 0 HG2 ARG A 28 -12.247 -0.798 -9.248 1.00 63.04 H new ATOM 0 HG3 ARG A 28 -13.829 -1.529 -9.058 1.00 63.04 H new ATOM 0 HD2 ARG A 28 -12.303 0.012 -6.916 1.00 5.53 H new ATOM 0 HD3 ARG A 28 -13.680 0.603 -7.823 1.00 5.53 H new ATOM 0 HE ARG A 28 -14.119 -1.882 -6.279 1.00 70.32 H new ATOM 0 HH11 ARG A 28 -14.502 1.587 -6.520 1.00 33.23 H new ATOM 0 HH12 ARG A 28 -15.709 1.637 -5.231 1.00 33.23 H new ATOM 0 HH21 ARG A 28 -15.638 -1.786 -4.680 1.00 44.05 H new ATOM 0 HH22 ARG A 28 -16.340 -0.234 -4.211 1.00 44.05 H new ATOM 477 N GLY A 29 -10.434 -4.112 -5.677 1.00 71.41 N ATOM 478 CA GLY A 29 -9.962 -5.423 -5.238 1.00 73.21 C ATOM 479 C GLY A 29 -8.461 -5.484 -4.968 1.00 72.24 C ATOM 480 O GLY A 29 -7.725 -6.217 -5.641 1.00 44.51 O ATOM 0 H GLY A 29 -10.873 -3.553 -4.945 1.00 71.41 H new ATOM 0 HA2 GLY A 29 -10.496 -5.705 -4.330 1.00 73.21 H new ATOM 0 HA3 GLY A 29 -10.214 -6.162 -5.998 1.00 73.21 H new ATOM 484 N LEU A 30 -8.000 -4.725 -3.977 1.00 42.50 N ATOM 485 CA LEU A 30 -6.579 -4.721 -3.601 1.00 4.51 C ATOM 486 C LEU A 30 -6.287 -5.709 -2.458 1.00 10.23 C ATOM 487 O LEU A 30 -7.198 -6.179 -1.778 1.00 33.50 O ATOM 488 CB LEU A 30 -6.145 -3.313 -3.187 1.00 1.12 C ATOM 489 CG LEU A 30 -6.339 -2.234 -4.260 1.00 43.33 C ATOM 490 CD1 LEU A 30 -5.852 -0.884 -3.755 1.00 71.22 C ATOM 491 CD2 LEU A 30 -5.623 -2.616 -5.554 1.00 10.51 C ATOM 0 H LEU A 30 -8.585 -4.104 -3.418 1.00 42.50 H new ATOM 0 HA LEU A 30 -6.010 -5.038 -4.475 1.00 4.51 H new ATOM 0 HB2 LEU A 30 -6.704 -3.024 -2.297 1.00 1.12 H new ATOM 0 HB3 LEU A 30 -5.092 -3.341 -2.907 1.00 1.12 H new ATOM 0 HG LEU A 30 -7.405 -2.157 -4.475 1.00 43.33 H new ATOM 0 HD11 LEU A 30 -5.998 -0.131 -4.530 1.00 71.22 H new ATOM 0 HD12 LEU A 30 -6.416 -0.603 -2.866 1.00 71.22 H new ATOM 0 HD13 LEU A 30 -4.793 -0.949 -3.507 1.00 71.22 H new ATOM 0 HD21 LEU A 30 -5.776 -1.835 -6.299 1.00 10.51 H new ATOM 0 HD22 LEU A 30 -4.556 -2.729 -5.360 1.00 10.51 H new ATOM 0 HD23 LEU A 30 -6.025 -3.558 -5.928 1.00 10.51 H new ATOM 503 N LYS A 31 -5.005 -6.009 -2.249 1.00 63.43 N ATOM 504 CA LYS A 31 -4.584 -6.965 -1.216 1.00 60.34 C ATOM 505 C LYS A 31 -3.395 -6.425 -0.403 1.00 33.42 C ATOM 506 O LYS A 31 -2.292 -6.286 -0.927 1.00 44.41 O ATOM 507 CB LYS A 31 -4.209 -8.300 -1.875 1.00 42.14 C ATOM 508 CG LYS A 31 -3.698 -9.362 -0.905 1.00 71.23 C ATOM 509 CD LYS A 31 -3.387 -10.691 -1.602 1.00 52.20 C ATOM 510 CE LYS A 31 -4.633 -11.373 -2.176 1.00 73.14 C ATOM 511 NZ LYS A 31 -5.163 -10.698 -3.393 1.00 4.43 N ATOM 0 H LYS A 31 -4.235 -5.604 -2.782 1.00 63.43 H new ATOM 0 HA LYS A 31 -5.416 -7.116 -0.528 1.00 60.34 H new ATOM 0 HB2 LYS A 31 -5.083 -8.692 -2.396 1.00 42.14 H new ATOM 0 HB3 LYS A 31 -3.444 -8.116 -2.629 1.00 42.14 H new ATOM 0 HG2 LYS A 31 -2.798 -8.995 -0.410 1.00 71.23 H new ATOM 0 HG3 LYS A 31 -4.444 -9.529 -0.128 1.00 71.23 H new ATOM 0 HD2 LYS A 31 -2.673 -10.514 -2.407 1.00 52.20 H new ATOM 0 HD3 LYS A 31 -2.906 -11.364 -0.892 1.00 52.20 H new ATOM 0 HE2 LYS A 31 -4.394 -12.409 -2.418 1.00 73.14 H new ATOM 0 HE3 LYS A 31 -5.411 -11.396 -1.413 1.00 73.14 H new ATOM 0 HZ1 LYS A 31 -6.003 -10.138 -3.142 1.00 4.43 H new ATOM 0 HZ2 LYS A 31 -4.434 -10.070 -3.787 1.00 4.43 H new ATOM 0 HZ3 LYS A 31 -5.424 -11.414 -4.101 1.00 4.43 H new ATOM 525 N TYR A 32 -3.630 -6.117 0.872 1.00 71.30 N ATOM 526 CA TYR A 32 -2.581 -5.595 1.763 1.00 34.42 C ATOM 527 C TYR A 32 -2.137 -6.660 2.779 1.00 53.32 C ATOM 528 O TYR A 32 -2.894 -7.009 3.686 1.00 73.33 O ATOM 529 CB TYR A 32 -3.094 -4.364 2.529 1.00 65.31 C ATOM 530 CG TYR A 32 -3.453 -3.173 1.657 1.00 64.23 C ATOM 531 CD1 TYR A 32 -4.654 -3.131 0.954 1.00 72.32 C ATOM 532 CD2 TYR A 32 -2.595 -2.081 1.552 1.00 12.35 C ATOM 533 CE1 TYR A 32 -4.985 -2.042 0.171 1.00 72.35 C ATOM 534 CE2 TYR A 32 -2.922 -0.988 0.773 1.00 52.51 C ATOM 535 CZ TYR A 32 -4.117 -0.974 0.085 1.00 61.43 C ATOM 536 OH TYR A 32 -4.450 0.114 -0.687 1.00 25.32 O ATOM 0 H TYR A 32 -4.542 -6.219 1.318 1.00 71.30 H new ATOM 0 HA TYR A 32 -1.730 -5.318 1.141 1.00 34.42 H new ATOM 0 HB2 TYR A 32 -3.973 -4.653 3.105 1.00 65.31 H new ATOM 0 HB3 TYR A 32 -2.332 -4.056 3.245 1.00 65.31 H new ATOM 0 HD1 TYR A 32 -5.338 -3.964 1.022 1.00 72.32 H new ATOM 0 HD2 TYR A 32 -1.658 -2.089 2.089 1.00 12.35 H new ATOM 0 HE1 TYR A 32 -5.919 -2.027 -0.371 1.00 72.35 H new ATOM 0 HE2 TYR A 32 -2.245 -0.149 0.703 1.00 52.51 H new ATOM 0 HH TYR A 32 -3.733 0.780 -0.640 1.00 25.32 H new ATOM 546 N GLU A 33 -0.922 -7.185 2.629 1.00 31.40 N ATOM 547 CA GLU A 33 -0.377 -8.152 3.598 1.00 54.21 C ATOM 548 C GLU A 33 0.872 -7.604 4.309 1.00 65.11 C ATOM 549 O GLU A 33 1.441 -6.585 3.907 1.00 44.35 O ATOM 550 CB GLU A 33 -0.064 -9.494 2.921 1.00 40.23 C ATOM 551 CG GLU A 33 0.963 -9.408 1.800 1.00 31.32 C ATOM 552 CD GLU A 33 1.241 -10.762 1.162 1.00 71.10 C ATOM 553 OE1 GLU A 33 0.323 -11.325 0.530 1.00 21.22 O ATOM 554 OE2 GLU A 33 2.366 -11.283 1.316 1.00 70.04 O ATOM 0 H GLU A 33 -0.296 -6.964 1.855 1.00 31.40 H new ATOM 0 HA GLU A 33 -1.145 -8.317 4.354 1.00 54.21 H new ATOM 0 HB2 GLU A 33 0.297 -10.192 3.676 1.00 40.23 H new ATOM 0 HB3 GLU A 33 -0.988 -9.909 2.519 1.00 40.23 H new ATOM 0 HG2 GLU A 33 0.607 -8.716 1.037 1.00 31.32 H new ATOM 0 HG3 GLU A 33 1.893 -8.997 2.194 1.00 31.32 H new ATOM 561 N LEU A 34 1.291 -8.293 5.367 1.00 51.32 N ATOM 562 CA LEU A 34 2.399 -7.836 6.219 1.00 34.22 C ATOM 563 C LEU A 34 3.726 -8.521 5.844 1.00 10.13 C ATOM 564 O LEU A 34 3.878 -9.732 6.009 1.00 55.24 O ATOM 565 CB LEU A 34 2.060 -8.112 7.696 1.00 63.12 C ATOM 566 CG LEU A 34 3.152 -7.745 8.720 1.00 51.52 C ATOM 567 CD1 LEU A 34 3.437 -6.243 8.707 1.00 4.33 C ATOM 568 CD2 LEU A 34 2.750 -8.204 10.120 1.00 54.13 C ATOM 0 H LEU A 34 0.879 -9.179 5.661 1.00 51.32 H new ATOM 0 HA LEU A 34 2.527 -6.765 6.063 1.00 34.22 H new ATOM 0 HB2 LEU A 34 1.153 -7.562 7.949 1.00 63.12 H new ATOM 0 HB3 LEU A 34 1.831 -9.172 7.804 1.00 63.12 H new ATOM 0 HG LEU A 34 4.068 -8.263 8.436 1.00 51.52 H new ATOM 0 HD11 LEU A 34 4.211 -6.013 9.439 1.00 4.33 H new ATOM 0 HD12 LEU A 34 3.776 -5.946 7.715 1.00 4.33 H new ATOM 0 HD13 LEU A 34 2.527 -5.698 8.958 1.00 4.33 H new ATOM 0 HD21 LEU A 34 3.533 -7.936 10.829 1.00 54.13 H new ATOM 0 HD22 LEU A 34 1.818 -7.719 10.408 1.00 54.13 H new ATOM 0 HD23 LEU A 34 2.612 -9.285 10.123 1.00 54.13 H new ATOM 580 N ILE A 35 4.681 -7.737 5.347 1.00 64.54 N ATOM 581 CA ILE A 35 5.999 -8.261 4.965 1.00 23.33 C ATOM 582 C ILE A 35 6.922 -8.387 6.186 1.00 2.44 C ATOM 583 O ILE A 35 7.445 -9.465 6.479 1.00 55.44 O ATOM 584 CB ILE A 35 6.685 -7.353 3.906 1.00 61.12 C ATOM 585 CG1 ILE A 35 5.776 -7.158 2.682 1.00 20.13 C ATOM 586 CG2 ILE A 35 8.039 -7.928 3.487 1.00 54.41 C ATOM 587 CD1 ILE A 35 5.420 -8.446 1.965 1.00 34.54 C ATOM 0 H ILE A 35 4.570 -6.734 5.198 1.00 64.54 H new ATOM 0 HA ILE A 35 5.832 -9.249 4.535 1.00 23.33 H new ATOM 0 HB ILE A 35 6.858 -6.378 4.361 1.00 61.12 H new ATOM 0 HG12 ILE A 35 4.857 -6.666 3.000 1.00 20.13 H new ATOM 0 HG13 ILE A 35 6.270 -6.488 1.979 1.00 20.13 H new ATOM 0 HG21 ILE A 35 8.498 -7.274 2.746 1.00 54.41 H new ATOM 0 HG22 ILE A 35 8.689 -8.001 4.359 1.00 54.41 H new ATOM 0 HG23 ILE A 35 7.896 -8.920 3.057 1.00 54.41 H new ATOM 0 HD11 ILE A 35 4.777 -8.223 1.114 1.00 34.54 H new ATOM 0 HD12 ILE A 35 6.331 -8.931 1.614 1.00 34.54 H new ATOM 0 HD13 ILE A 35 4.896 -9.111 2.651 1.00 34.54 H new ATOM 599 N SER A 36 7.116 -7.281 6.900 1.00 34.33 N ATOM 600 CA SER A 36 8.028 -7.254 8.055 1.00 75.43 C ATOM 601 C SER A 36 7.446 -6.443 9.219 1.00 45.52 C ATOM 602 O SER A 36 7.014 -5.307 9.039 1.00 52.25 O ATOM 603 CB SER A 36 9.389 -6.669 7.645 1.00 75.00 C ATOM 604 OG SER A 36 10.288 -6.632 8.741 1.00 41.21 O ATOM 0 H SER A 36 6.658 -6.391 6.705 1.00 34.33 H new ATOM 0 HA SER A 36 8.159 -8.282 8.392 1.00 75.43 H new ATOM 0 HB2 SER A 36 9.817 -7.268 6.842 1.00 75.00 H new ATOM 0 HB3 SER A 36 9.250 -5.662 7.252 1.00 75.00 H new ATOM 0 HG SER A 36 11.145 -6.257 8.449 1.00 41.21 H new ATOM 740 N PHE A 46 7.449 -1.296 10.307 1.00 54.53 N ATOM 741 CA PHE A 46 6.338 -2.043 9.703 1.00 71.54 C ATOM 742 C PHE A 46 6.351 -1.914 8.178 1.00 53.35 C ATOM 743 O PHE A 46 6.148 -0.827 7.645 1.00 21.43 O ATOM 744 CB PHE A 46 4.994 -1.532 10.237 1.00 12.41 C ATOM 745 CG PHE A 46 4.781 -1.784 11.707 1.00 1.53 C ATOM 746 CD1 PHE A 46 5.386 -0.979 12.656 1.00 35.15 C ATOM 747 CD2 PHE A 46 3.978 -2.830 12.137 1.00 25.12 C ATOM 748 CE1 PHE A 46 5.189 -1.206 14.003 1.00 32.45 C ATOM 749 CE2 PHE A 46 3.779 -3.059 13.484 1.00 2.42 C ATOM 750 CZ PHE A 46 4.389 -2.247 14.419 1.00 21.25 C ATOM 0 HA PHE A 46 6.464 -3.092 9.971 1.00 71.54 H new ATOM 0 HB2 PHE A 46 4.924 -0.461 10.049 1.00 12.41 H new ATOM 0 HB3 PHE A 46 4.188 -2.007 9.677 1.00 12.41 H new ATOM 0 HD1 PHE A 46 6.020 -0.164 12.339 1.00 35.15 H new ATOM 0 HD2 PHE A 46 3.503 -3.472 11.410 1.00 25.12 H new ATOM 0 HE1 PHE A 46 5.663 -0.566 14.732 1.00 32.45 H new ATOM 0 HE2 PHE A 46 3.146 -3.873 13.806 1.00 2.42 H new ATOM 0 HZ PHE A 46 4.239 -2.427 15.473 1.00 21.25 H new ATOM 760 N VAL A 47 6.583 -3.023 7.486 1.00 13.40 N ATOM 761 CA VAL A 47 6.584 -3.040 6.022 1.00 11.10 C ATOM 762 C VAL A 47 5.374 -3.817 5.480 1.00 12.31 C ATOM 763 O VAL A 47 5.294 -5.041 5.620 1.00 24.24 O ATOM 764 CB VAL A 47 7.888 -3.664 5.462 1.00 14.42 C ATOM 765 CG1 VAL A 47 7.911 -3.598 3.934 1.00 52.24 C ATOM 766 CG2 VAL A 47 9.116 -2.970 6.058 1.00 54.23 C ATOM 0 H VAL A 47 6.774 -3.929 7.915 1.00 13.40 H new ATOM 0 HA VAL A 47 6.523 -2.003 5.691 1.00 11.10 H new ATOM 0 HB VAL A 47 7.916 -4.714 5.752 1.00 14.42 H new ATOM 0 HG11 VAL A 47 8.835 -4.042 3.565 1.00 52.24 H new ATOM 0 HG12 VAL A 47 7.059 -4.147 3.533 1.00 52.24 H new ATOM 0 HG13 VAL A 47 7.855 -2.558 3.614 1.00 52.24 H new ATOM 0 HG21 VAL A 47 10.022 -3.422 5.653 1.00 54.23 H new ATOM 0 HG22 VAL A 47 9.094 -1.910 5.804 1.00 54.23 H new ATOM 0 HG23 VAL A 47 9.108 -3.083 7.142 1.00 54.23 H new ATOM 776 N MET A 48 4.430 -3.095 4.878 1.00 42.42 N ATOM 777 CA MET A 48 3.245 -3.707 4.261 1.00 64.41 C ATOM 778 C MET A 48 3.357 -3.666 2.727 1.00 41.11 C ATOM 779 O MET A 48 3.942 -2.737 2.170 1.00 72.22 O ATOM 780 CB MET A 48 1.975 -2.964 4.704 1.00 21.23 C ATOM 781 CG MET A 48 1.779 -2.909 6.215 1.00 34.53 C ATOM 782 SD MET A 48 1.386 -4.513 6.940 1.00 41.23 S ATOM 783 CE MET A 48 -0.255 -4.806 6.287 1.00 40.00 C ATOM 0 H MET A 48 4.460 -2.078 4.802 1.00 42.42 H new ATOM 0 HA MET A 48 3.186 -4.746 4.585 1.00 64.41 H new ATOM 0 HB2 MET A 48 2.009 -1.946 4.316 1.00 21.23 H new ATOM 0 HB3 MET A 48 1.108 -3.448 4.254 1.00 21.23 H new ATOM 0 HG2 MET A 48 2.686 -2.521 6.678 1.00 34.53 H new ATOM 0 HG3 MET A 48 0.977 -2.207 6.445 1.00 34.53 H new ATOM 0 HE1 MET A 48 -0.697 -5.669 6.786 1.00 40.00 H new ATOM 0 HE2 MET A 48 -0.878 -3.928 6.460 1.00 40.00 H new ATOM 0 HE3 MET A 48 -0.191 -5.000 5.216 1.00 40.00 H new ATOM 793 N GLU A 49 2.796 -4.667 2.049 1.00 14.01 N ATOM 794 CA GLU A 49 2.816 -4.715 0.579 1.00 44.13 C ATOM 795 C GLU A 49 1.405 -4.877 0.003 1.00 53.41 C ATOM 796 O GLU A 49 0.555 -5.552 0.590 1.00 63.13 O ATOM 797 CB GLU A 49 3.719 -5.858 0.084 1.00 10.21 C ATOM 798 CG GLU A 49 3.764 -6.000 -1.440 1.00 14.33 C ATOM 799 CD GLU A 49 4.847 -6.954 -1.925 1.00 74.55 C ATOM 800 OE1 GLU A 49 4.681 -8.186 -1.777 1.00 32.23 O ATOM 801 OE2 GLU A 49 5.874 -6.476 -2.461 1.00 11.24 O ATOM 0 H GLU A 49 2.322 -5.456 2.489 1.00 14.01 H new ATOM 0 HA GLU A 49 3.220 -3.766 0.228 1.00 44.13 H new ATOM 0 HB2 GLU A 49 4.731 -5.694 0.453 1.00 10.21 H new ATOM 0 HB3 GLU A 49 3.370 -6.796 0.516 1.00 10.21 H new ATOM 0 HG2 GLU A 49 2.795 -6.352 -1.794 1.00 14.33 H new ATOM 0 HG3 GLU A 49 3.929 -5.018 -1.885 1.00 14.33 H new ATOM 808 N VAL A 50 1.166 -4.249 -1.144 1.00 14.21 N ATOM 809 CA VAL A 50 -0.129 -4.334 -1.822 1.00 2.32 C ATOM 810 C VAL A 50 0.028 -4.550 -3.336 1.00 45.33 C ATOM 811 O VAL A 50 0.818 -3.873 -3.995 1.00 60.13 O ATOM 812 CB VAL A 50 -0.978 -3.059 -1.569 1.00 43.42 C ATOM 813 CG1 VAL A 50 -0.228 -1.801 -2.007 1.00 21.23 C ATOM 814 CG2 VAL A 50 -2.335 -3.157 -2.268 1.00 65.04 C ATOM 0 H VAL A 50 1.854 -3.672 -1.628 1.00 14.21 H new ATOM 0 HA VAL A 50 -0.643 -5.198 -1.402 1.00 2.32 H new ATOM 0 HB VAL A 50 -1.156 -2.985 -0.496 1.00 43.42 H new ATOM 0 HG11 VAL A 50 -0.847 -0.924 -1.818 1.00 21.23 H new ATOM 0 HG12 VAL A 50 0.702 -1.717 -1.444 1.00 21.23 H new ATOM 0 HG13 VAL A 50 -0.003 -1.864 -3.072 1.00 21.23 H new ATOM 0 HG21 VAL A 50 -2.910 -2.251 -2.075 1.00 65.04 H new ATOM 0 HG22 VAL A 50 -2.184 -3.269 -3.342 1.00 65.04 H new ATOM 0 HG23 VAL A 50 -2.879 -4.021 -1.886 1.00 65.04 H new ATOM 824 N GLU A 51 -0.715 -5.510 -3.884 1.00 31.43 N ATOM 825 CA GLU A 51 -0.760 -5.708 -5.336 1.00 72.35 C ATOM 826 C GLU A 51 -1.838 -4.817 -5.973 1.00 1.45 C ATOM 827 O GLU A 51 -3.032 -5.104 -5.891 1.00 63.30 O ATOM 828 CB GLU A 51 -1.020 -7.181 -5.693 1.00 21.55 C ATOM 829 CG GLU A 51 -1.161 -7.426 -7.198 1.00 74.30 C ATOM 830 CD GLU A 51 -1.463 -8.875 -7.548 1.00 62.01 C ATOM 831 OE1 GLU A 51 -2.602 -9.322 -7.310 1.00 2.34 O ATOM 832 OE2 GLU A 51 -0.568 -9.569 -8.072 1.00 31.40 O ATOM 0 H GLU A 51 -1.292 -6.161 -3.350 1.00 31.43 H new ATOM 0 HA GLU A 51 0.214 -5.426 -5.735 1.00 72.35 H new ATOM 0 HB2 GLU A 51 -0.202 -7.790 -5.308 1.00 21.55 H new ATOM 0 HB3 GLU A 51 -1.929 -7.514 -5.191 1.00 21.55 H new ATOM 0 HG2 GLU A 51 -1.957 -6.792 -7.589 1.00 74.30 H new ATOM 0 HG3 GLU A 51 -0.239 -7.124 -7.696 1.00 74.30 H new ATOM 839 N VAL A 52 -1.404 -3.727 -6.592 1.00 14.02 N ATOM 840 CA VAL A 52 -2.310 -2.796 -7.262 1.00 51.05 C ATOM 841 C VAL A 52 -2.216 -2.948 -8.786 1.00 40.44 C ATOM 842 O VAL A 52 -1.192 -2.617 -9.387 1.00 41.42 O ATOM 843 CB VAL A 52 -1.986 -1.332 -6.874 1.00 53.23 C ATOM 844 CG1 VAL A 52 -3.015 -0.367 -7.463 1.00 10.44 C ATOM 845 CG2 VAL A 52 -1.898 -1.187 -5.357 1.00 71.23 C ATOM 0 H VAL A 52 -0.420 -3.462 -6.645 1.00 14.02 H new ATOM 0 HA VAL A 52 -3.323 -3.034 -6.938 1.00 51.05 H new ATOM 0 HB VAL A 52 -1.015 -1.074 -7.296 1.00 53.23 H new ATOM 0 HG11 VAL A 52 -2.763 0.654 -7.175 1.00 10.44 H new ATOM 0 HG12 VAL A 52 -3.010 -0.449 -8.550 1.00 10.44 H new ATOM 0 HG13 VAL A 52 -4.006 -0.617 -7.085 1.00 10.44 H new ATOM 0 HG21 VAL A 52 -1.670 -0.152 -5.103 1.00 71.23 H new ATOM 0 HG22 VAL A 52 -2.851 -1.469 -4.909 1.00 71.23 H new ATOM 0 HG23 VAL A 52 -1.111 -1.837 -4.974 1.00 71.23 H new ATOM 855 N ASP A 53 -3.275 -3.480 -9.404 1.00 51.32 N ATOM 856 CA ASP A 53 -3.316 -3.650 -10.863 1.00 25.15 C ATOM 857 C ASP A 53 -2.184 -4.595 -11.341 1.00 74.24 C ATOM 858 O ASP A 53 -1.691 -4.501 -12.467 1.00 51.44 O ATOM 859 CB ASP A 53 -3.236 -2.260 -11.531 1.00 20.14 C ATOM 860 CG ASP A 53 -3.269 -2.314 -13.048 1.00 75.32 C ATOM 861 OD1 ASP A 53 -4.291 -2.755 -13.612 1.00 21.11 O ATOM 862 OD2 ASP A 53 -2.261 -1.929 -13.679 1.00 33.13 O ATOM 0 H ASP A 53 -4.114 -3.800 -8.920 1.00 51.32 H new ATOM 0 HA ASP A 53 -4.255 -4.121 -11.155 1.00 25.15 H new ATOM 0 HB2 ASP A 53 -4.067 -1.648 -11.179 1.00 20.14 H new ATOM 0 HB3 ASP A 53 -2.318 -1.765 -11.213 1.00 20.14 H new ATOM 867 N GLY A 54 -1.796 -5.531 -10.474 1.00 43.12 N ATOM 868 CA GLY A 54 -0.726 -6.476 -10.797 1.00 33.03 C ATOM 869 C GLY A 54 0.635 -6.045 -10.256 1.00 34.31 C ATOM 870 O GLY A 54 1.518 -6.877 -10.029 1.00 75.14 O ATOM 0 H GLY A 54 -2.204 -5.655 -9.547 1.00 43.12 H new ATOM 0 HA2 GLY A 54 -0.979 -7.455 -10.390 1.00 33.03 H new ATOM 0 HA3 GLY A 54 -0.662 -6.587 -11.879 1.00 33.03 H new ATOM 874 N GLN A 55 0.793 -4.744 -10.027 1.00 43.31 N ATOM 875 CA GLN A 55 2.061 -4.174 -9.559 1.00 2.24 C ATOM 876 C GLN A 55 2.105 -4.104 -8.021 1.00 53.41 C ATOM 877 O GLN A 55 1.210 -3.544 -7.394 1.00 14.31 O ATOM 878 CB GLN A 55 2.228 -2.767 -10.157 1.00 44.12 C ATOM 879 CG GLN A 55 2.282 -2.757 -11.683 1.00 70.12 C ATOM 880 CD GLN A 55 2.090 -1.371 -12.279 1.00 43.21 C ATOM 881 OE1 GLN A 55 3.039 -0.611 -12.455 1.00 62.31 O ATOM 882 NE2 GLN A 55 0.859 -1.039 -12.619 1.00 24.51 N ATOM 0 H GLN A 55 0.052 -4.055 -10.159 1.00 43.31 H new ATOM 0 HA GLN A 55 2.878 -4.817 -9.886 1.00 2.24 H new ATOM 0 HB2 GLN A 55 1.400 -2.140 -9.826 1.00 44.12 H new ATOM 0 HB3 GLN A 55 3.142 -2.321 -9.766 1.00 44.12 H new ATOM 0 HG2 GLN A 55 3.243 -3.156 -12.009 1.00 70.12 H new ATOM 0 HG3 GLN A 55 1.512 -3.423 -12.072 1.00 70.12 H new ATOM 0 HE21 GLN A 55 0.092 -1.692 -12.460 1.00 24.51 H new ATOM 0 HE22 GLN A 55 0.674 -0.129 -13.041 1.00 24.51 H new ATOM 891 N LYS A 56 3.148 -4.681 -7.419 1.00 33.43 N ATOM 892 CA LYS A 56 3.283 -4.702 -5.955 1.00 61.11 C ATOM 893 C LYS A 56 4.019 -3.460 -5.438 1.00 13.31 C ATOM 894 O LYS A 56 5.041 -3.047 -5.991 1.00 41.24 O ATOM 895 CB LYS A 56 4.015 -5.971 -5.482 1.00 14.11 C ATOM 896 CG LYS A 56 3.224 -7.268 -5.669 1.00 73.35 C ATOM 897 CD LYS A 56 3.034 -7.620 -7.142 1.00 71.22 C ATOM 898 CE LYS A 56 2.358 -8.971 -7.321 1.00 53.11 C ATOM 899 NZ LYS A 56 2.135 -9.286 -8.756 1.00 62.41 N ATOM 0 H LYS A 56 3.910 -5.139 -7.918 1.00 33.43 H new ATOM 0 HA LYS A 56 2.273 -4.702 -5.544 1.00 61.11 H new ATOM 0 HB2 LYS A 56 4.958 -6.054 -6.023 1.00 14.11 H new ATOM 0 HB3 LYS A 56 4.262 -5.860 -4.426 1.00 14.11 H new ATOM 0 HG2 LYS A 56 3.743 -8.084 -5.166 1.00 73.35 H new ATOM 0 HG3 LYS A 56 2.249 -7.169 -5.192 1.00 73.35 H new ATOM 0 HD2 LYS A 56 2.435 -6.848 -7.625 1.00 71.22 H new ATOM 0 HD3 LYS A 56 4.003 -7.630 -7.641 1.00 71.22 H new ATOM 0 HE2 LYS A 56 2.973 -9.749 -6.869 1.00 53.11 H new ATOM 0 HE3 LYS A 56 1.403 -8.973 -6.795 1.00 53.11 H new ATOM 0 HZ1 LYS A 56 1.219 -9.765 -8.868 1.00 62.41 H new ATOM 0 HZ2 LYS A 56 2.135 -8.405 -9.309 1.00 62.41 H new ATOM 0 HZ3 LYS A 56 2.895 -9.908 -9.097 1.00 62.41 H new ATOM 913 N PHE A 57 3.487 -2.866 -4.376 1.00 41.14 N ATOM 914 CA PHE A 57 4.098 -1.693 -3.743 1.00 2.45 C ATOM 915 C PHE A 57 4.247 -1.900 -2.228 1.00 72.34 C ATOM 916 O PHE A 57 3.276 -2.216 -1.539 1.00 73.41 O ATOM 917 CB PHE A 57 3.248 -0.443 -4.015 1.00 14.21 C ATOM 918 CG PHE A 57 3.071 -0.135 -5.483 1.00 42.10 C ATOM 919 CD1 PHE A 57 4.018 0.610 -6.171 1.00 20.14 C ATOM 920 CD2 PHE A 57 1.959 -0.597 -6.176 1.00 34.25 C ATOM 921 CE1 PHE A 57 3.858 0.889 -7.515 1.00 74.33 C ATOM 922 CE2 PHE A 57 1.796 -0.320 -7.520 1.00 23.22 C ATOM 923 CZ PHE A 57 2.748 0.424 -8.190 1.00 33.25 C ATOM 0 H PHE A 57 2.625 -3.178 -3.928 1.00 41.14 H new ATOM 0 HA PHE A 57 5.091 -1.556 -4.172 1.00 2.45 H new ATOM 0 HB2 PHE A 57 2.266 -0.576 -3.560 1.00 14.21 H new ATOM 0 HB3 PHE A 57 3.712 0.414 -3.527 1.00 14.21 H new ATOM 0 HD1 PHE A 57 4.890 0.976 -5.650 1.00 20.14 H new ATOM 0 HD2 PHE A 57 1.212 -1.180 -5.658 1.00 34.25 H new ATOM 0 HE1 PHE A 57 4.602 1.471 -8.037 1.00 74.33 H new ATOM 0 HE2 PHE A 57 0.926 -0.685 -8.046 1.00 23.22 H new ATOM 0 HZ PHE A 57 2.624 0.641 -9.241 1.00 33.25 H new ATOM 933 N GLN A 58 5.467 -1.732 -1.720 1.00 64.44 N ATOM 934 CA GLN A 58 5.737 -1.849 -0.280 1.00 12.03 C ATOM 935 C GLN A 58 5.906 -0.474 0.383 1.00 42.42 C ATOM 936 O GLN A 58 6.402 0.472 -0.234 1.00 13.53 O ATOM 937 CB GLN A 58 6.998 -2.685 -0.034 1.00 62.25 C ATOM 938 CG GLN A 58 6.797 -4.178 -0.241 1.00 63.42 C ATOM 939 CD GLN A 58 8.064 -4.981 -0.017 1.00 50.33 C ATOM 940 OE1 GLN A 58 8.938 -4.592 0.750 1.00 30.33 O ATOM 941 NE2 GLN A 58 8.172 -6.109 -0.675 1.00 22.34 N ATOM 0 H GLN A 58 6.289 -1.514 -2.283 1.00 64.44 H new ATOM 0 HA GLN A 58 4.874 -2.344 0.166 1.00 12.03 H new ATOM 0 HB2 GLN A 58 7.788 -2.339 -0.701 1.00 62.25 H new ATOM 0 HB3 GLN A 58 7.343 -2.513 0.985 1.00 62.25 H new ATOM 0 HG2 GLN A 58 6.023 -4.533 0.439 1.00 63.42 H new ATOM 0 HG3 GLN A 58 6.436 -4.354 -1.254 1.00 63.42 H new ATOM 0 HE21 GLN A 58 7.427 -6.405 -1.306 1.00 22.34 H new ATOM 0 HE22 GLN A 58 9.001 -6.691 -0.556 1.00 22.34 H new ATOM 950 N GLY A 59 5.505 -0.385 1.647 1.00 13.34 N ATOM 951 CA GLY A 59 5.662 0.848 2.415 1.00 33.35 C ATOM 952 C GLY A 59 5.991 0.587 3.883 1.00 64.02 C ATOM 953 O GLY A 59 5.477 -0.363 4.477 1.00 70.02 O ATOM 0 H GLY A 59 5.069 -1.150 2.162 1.00 13.34 H new ATOM 0 HA2 GLY A 59 6.454 1.450 1.970 1.00 33.35 H new ATOM 0 HA3 GLY A 59 4.744 1.431 2.350 1.00 33.35 H new ATOM 957 N ALA A 60 6.839 1.433 4.472 1.00 23.31 N ATOM 958 CA ALA A 60 7.266 1.266 5.871 1.00 0.30 C ATOM 959 C ALA A 60 6.825 2.449 6.750 1.00 73.03 C ATOM 960 O ALA A 60 7.135 3.605 6.451 1.00 44.42 O ATOM 961 CB ALA A 60 8.782 1.085 5.939 1.00 25.51 C ATOM 0 H ALA A 60 7.246 2.243 4.005 1.00 23.31 H new ATOM 0 HA ALA A 60 6.780 0.372 6.262 1.00 0.30 H new ATOM 0 HB1 ALA A 60 9.088 0.962 6.978 1.00 25.51 H new ATOM 0 HB2 ALA A 60 9.069 0.201 5.370 1.00 25.51 H new ATOM 0 HB3 ALA A 60 9.272 1.963 5.518 1.00 25.51 H new ATOM 967 N GLY A 61 6.112 2.158 7.842 1.00 2.31 N ATOM 968 CA GLY A 61 5.592 3.223 8.700 1.00 4.21 C ATOM 969 C GLY A 61 5.485 2.864 10.186 1.00 45.21 C ATOM 970 O GLY A 61 5.912 1.790 10.617 1.00 11.33 O ATOM 0 H GLY A 61 5.885 1.212 8.148 1.00 2.31 H new ATOM 0 HA2 GLY A 61 6.235 4.097 8.598 1.00 4.21 H new ATOM 0 HA3 GLY A 61 4.604 3.510 8.339 1.00 4.21 H new ATOM 974 N SER A 62 4.902 3.791 10.956 1.00 61.10 N ATOM 975 CA SER A 62 4.730 3.660 12.422 1.00 12.51 C ATOM 976 C SER A 62 3.992 2.374 12.842 1.00 53.22 C ATOM 977 O SER A 62 4.348 1.740 13.836 1.00 44.12 O ATOM 978 CB SER A 62 3.958 4.879 12.954 1.00 61.11 C ATOM 979 OG SER A 62 3.660 4.755 14.338 1.00 11.12 O ATOM 0 H SER A 62 4.530 4.664 10.583 1.00 61.10 H new ATOM 0 HA SER A 62 5.731 3.606 12.851 1.00 12.51 H new ATOM 0 HB2 SER A 62 4.546 5.782 12.789 1.00 61.11 H new ATOM 0 HB3 SER A 62 3.031 4.995 12.392 1.00 61.11 H new ATOM 0 HG SER A 62 3.171 5.549 14.640 1.00 11.12 H new ATOM 985 N ASN A 63 2.955 2.008 12.096 1.00 10.11 N ATOM 986 CA ASN A 63 2.160 0.807 12.391 1.00 20.12 C ATOM 987 C ASN A 63 1.475 0.288 11.118 1.00 1.22 C ATOM 988 O ASN A 63 1.571 0.921 10.070 1.00 61.35 O ATOM 989 CB ASN A 63 1.120 1.099 13.486 1.00 24.25 C ATOM 990 CG ASN A 63 0.197 2.253 13.137 1.00 23.13 C ATOM 991 OD1 ASN A 63 0.463 3.405 13.466 1.00 51.44 O ATOM 992 ND2 ASN A 63 -0.900 1.958 12.470 1.00 24.43 N ATOM 0 H ASN A 63 2.639 2.526 11.276 1.00 10.11 H new ATOM 0 HA ASN A 63 2.833 0.033 12.759 1.00 20.12 H new ATOM 0 HB2 ASN A 63 0.523 0.204 13.660 1.00 24.25 H new ATOM 0 HB3 ASN A 63 1.637 1.324 14.419 1.00 24.25 H new ATOM 0 HD21 ASN A 63 -1.555 2.697 12.213 1.00 24.43 H new ATOM 0 HD22 ASN A 63 -1.094 0.991 12.210 1.00 24.43 H new ATOM 999 N LYS A 64 0.772 -0.849 11.217 1.00 65.01 N ATOM 1000 CA LYS A 64 0.123 -1.476 10.046 1.00 55.40 C ATOM 1001 C LYS A 64 -0.624 -0.447 9.173 1.00 2.53 C ATOM 1002 O LYS A 64 -0.309 -0.278 7.998 1.00 14.12 O ATOM 1003 CB LYS A 64 -0.864 -2.564 10.489 1.00 54.23 C ATOM 1004 CG LYS A 64 -0.246 -3.694 11.308 1.00 25.23 C ATOM 1005 CD LYS A 64 -1.291 -4.758 11.648 1.00 23.45 C ATOM 1006 CE LYS A 64 -0.757 -5.823 12.598 1.00 53.45 C ATOM 1007 NZ LYS A 64 0.353 -6.611 12.003 1.00 40.43 N ATOM 0 H LYS A 64 0.636 -1.356 12.092 1.00 65.01 H new ATOM 0 HA LYS A 64 0.921 -1.919 9.450 1.00 55.40 H new ATOM 0 HB2 LYS A 64 -1.656 -2.099 11.077 1.00 54.23 H new ATOM 0 HB3 LYS A 64 -1.334 -2.991 9.603 1.00 54.23 H new ATOM 0 HG2 LYS A 64 0.572 -4.148 10.749 1.00 25.23 H new ATOM 0 HG3 LYS A 64 0.181 -3.291 12.227 1.00 25.23 H new ATOM 0 HD2 LYS A 64 -2.160 -4.278 12.098 1.00 23.45 H new ATOM 0 HD3 LYS A 64 -1.631 -5.234 10.729 1.00 23.45 H new ATOM 0 HE2 LYS A 64 -0.409 -5.346 13.515 1.00 53.45 H new ATOM 0 HE3 LYS A 64 -1.568 -6.496 12.877 1.00 53.45 H new ATOM 0 HZ1 LYS A 64 0.692 -7.310 12.694 1.00 40.43 H new ATOM 0 HZ2 LYS A 64 0.013 -7.103 11.152 1.00 40.43 H new ATOM 0 HZ3 LYS A 64 1.133 -5.973 11.745 1.00 40.43 H new ATOM 1021 N LYS A 65 -1.614 0.231 9.763 1.00 34.51 N ATOM 1022 CA LYS A 65 -2.400 1.263 9.061 1.00 60.45 C ATOM 1023 C LYS A 65 -1.505 2.295 8.350 1.00 32.02 C ATOM 1024 O LYS A 65 -1.739 2.644 7.193 1.00 11.24 O ATOM 1025 CB LYS A 65 -3.320 1.983 10.059 1.00 62.14 C ATOM 1026 CG LYS A 65 -4.415 1.099 10.656 1.00 42.43 C ATOM 1027 CD LYS A 65 -5.501 0.755 9.635 1.00 3.11 C ATOM 1028 CE LYS A 65 -6.275 1.996 9.195 1.00 13.25 C ATOM 1029 NZ LYS A 65 -7.369 1.669 8.244 1.00 53.33 N ATOM 0 H LYS A 65 -1.895 0.085 10.733 1.00 34.51 H new ATOM 0 HA LYS A 65 -2.992 0.758 8.298 1.00 60.45 H new ATOM 0 HB2 LYS A 65 -2.713 2.386 10.869 1.00 62.14 H new ATOM 0 HB3 LYS A 65 -3.787 2.831 9.558 1.00 62.14 H new ATOM 0 HG2 LYS A 65 -3.970 0.179 11.035 1.00 42.43 H new ATOM 0 HG3 LYS A 65 -4.867 1.608 11.507 1.00 42.43 H new ATOM 0 HD2 LYS A 65 -5.046 0.282 8.765 1.00 3.11 H new ATOM 0 HD3 LYS A 65 -6.191 0.030 10.067 1.00 3.11 H new ATOM 0 HE2 LYS A 65 -6.694 2.490 10.072 1.00 13.25 H new ATOM 0 HE3 LYS A 65 -5.589 2.703 8.728 1.00 13.25 H new ATOM 0 HZ1 LYS A 65 -7.866 2.542 7.973 1.00 53.33 H new ATOM 0 HZ2 LYS A 65 -6.969 1.221 7.395 1.00 53.33 H new ATOM 0 HZ3 LYS A 65 -8.039 1.015 8.697 1.00 53.33 H new ATOM 1043 N VAL A 66 -0.475 2.767 9.049 1.00 45.24 N ATOM 1044 CA VAL A 66 0.437 3.781 8.508 1.00 21.13 C ATOM 1045 C VAL A 66 1.284 3.221 7.349 1.00 11.54 C ATOM 1046 O VAL A 66 1.442 3.867 6.311 1.00 53.20 O ATOM 1047 CB VAL A 66 1.364 4.331 9.620 1.00 30.12 C ATOM 1048 CG1 VAL A 66 2.377 5.321 9.060 1.00 54.43 C ATOM 1049 CG2 VAL A 66 0.540 4.978 10.731 1.00 25.32 C ATOM 0 H VAL A 66 -0.248 2.464 9.996 1.00 45.24 H new ATOM 0 HA VAL A 66 -0.175 4.594 8.119 1.00 21.13 H new ATOM 0 HB VAL A 66 1.917 3.491 10.039 1.00 30.12 H new ATOM 0 HG11 VAL A 66 3.012 5.688 9.867 1.00 54.43 H new ATOM 0 HG12 VAL A 66 2.993 4.826 8.310 1.00 54.43 H new ATOM 0 HG13 VAL A 66 1.852 6.159 8.602 1.00 54.43 H new ATOM 0 HG21 VAL A 66 1.207 5.359 11.504 1.00 25.32 H new ATOM 0 HG22 VAL A 66 -0.045 5.800 10.319 1.00 25.32 H new ATOM 0 HG23 VAL A 66 -0.132 4.237 11.164 1.00 25.32 H new ATOM 1059 N ALA A 67 1.812 2.014 7.526 1.00 12.45 N ATOM 1060 CA ALA A 67 2.611 1.357 6.488 1.00 64.14 C ATOM 1061 C ALA A 67 1.762 1.055 5.243 1.00 44.25 C ATOM 1062 O ALA A 67 2.242 1.153 4.112 1.00 62.04 O ATOM 1063 CB ALA A 67 3.233 0.082 7.038 1.00 12.42 C ATOM 0 H ALA A 67 1.703 1.467 8.380 1.00 12.45 H new ATOM 0 HA ALA A 67 3.409 2.036 6.187 1.00 64.14 H new ATOM 0 HB1 ALA A 67 3.825 -0.399 6.259 1.00 12.42 H new ATOM 0 HB2 ALA A 67 3.876 0.326 7.884 1.00 12.42 H new ATOM 0 HB3 ALA A 67 2.444 -0.596 7.365 1.00 12.42 H new ATOM 1069 N LYS A 68 0.496 0.693 5.463 1.00 3.33 N ATOM 1070 CA LYS A 68 -0.464 0.516 4.367 1.00 34.31 C ATOM 1071 C LYS A 68 -0.679 1.837 3.614 1.00 70.35 C ATOM 1072 O LYS A 68 -0.839 1.849 2.395 1.00 65.05 O ATOM 1073 CB LYS A 68 -1.806 -0.010 4.902 1.00 11.43 C ATOM 1074 CG LYS A 68 -1.734 -1.423 5.473 1.00 71.35 C ATOM 1075 CD LYS A 68 -3.070 -1.875 6.066 1.00 72.30 C ATOM 1076 CE LYS A 68 -4.191 -1.861 5.029 1.00 23.41 C ATOM 1077 NZ LYS A 68 -5.458 -2.414 5.572 1.00 14.31 N ATOM 0 H LYS A 68 0.110 0.516 6.390 1.00 3.33 H new ATOM 0 HA LYS A 68 -0.052 -0.217 3.673 1.00 34.31 H new ATOM 0 HB2 LYS A 68 -2.167 0.666 5.677 1.00 11.43 H new ATOM 0 HB3 LYS A 68 -2.539 0.008 4.096 1.00 11.43 H new ATOM 0 HG2 LYS A 68 -1.434 -2.116 4.687 1.00 71.35 H new ATOM 0 HG3 LYS A 68 -0.964 -1.463 6.244 1.00 71.35 H new ATOM 0 HD2 LYS A 68 -2.964 -2.881 6.472 1.00 72.30 H new ATOM 0 HD3 LYS A 68 -3.337 -1.222 6.897 1.00 72.30 H new ATOM 0 HE2 LYS A 68 -4.358 -0.839 4.689 1.00 23.41 H new ATOM 0 HE3 LYS A 68 -3.886 -2.441 4.158 1.00 23.41 H new ATOM 0 HZ1 LYS A 68 -6.192 -2.386 4.836 1.00 14.31 H new ATOM 0 HZ2 LYS A 68 -5.307 -3.398 5.873 1.00 14.31 H new ATOM 0 HZ3 LYS A 68 -5.763 -1.846 6.388 1.00 14.31 H new ATOM 1091 N ALA A 69 -0.687 2.946 4.357 1.00 22.02 N ATOM 1092 CA ALA A 69 -0.789 4.280 3.758 1.00 2.13 C ATOM 1093 C ALA A 69 0.423 4.582 2.865 1.00 31.21 C ATOM 1094 O ALA A 69 0.277 5.120 1.768 1.00 3.04 O ATOM 1095 CB ALA A 69 -0.932 5.338 4.847 1.00 20.54 C ATOM 0 H ALA A 69 -0.624 2.947 5.375 1.00 22.02 H new ATOM 0 HA ALA A 69 -1.679 4.303 3.129 1.00 2.13 H new ATOM 0 HB1 ALA A 69 -1.007 6.324 4.389 1.00 20.54 H new ATOM 0 HB2 ALA A 69 -1.831 5.140 5.431 1.00 20.54 H new ATOM 0 HB3 ALA A 69 -0.061 5.307 5.501 1.00 20.54 H new ATOM 1101 N TYR A 70 1.622 4.228 3.341 1.00 75.41 N ATOM 1102 CA TYR A 70 2.845 4.356 2.534 1.00 3.21 C ATOM 1103 C TYR A 70 2.780 3.485 1.273 1.00 41.31 C ATOM 1104 O TYR A 70 3.068 3.955 0.174 1.00 21.12 O ATOM 1105 CB TYR A 70 4.087 3.981 3.355 1.00 43.24 C ATOM 1106 CG TYR A 70 4.535 5.056 4.325 1.00 22.22 C ATOM 1107 CD1 TYR A 70 5.207 6.184 3.869 1.00 51.44 C ATOM 1108 CD2 TYR A 70 4.294 4.943 5.689 1.00 42.33 C ATOM 1109 CE1 TYR A 70 5.626 7.166 4.743 1.00 12.22 C ATOM 1110 CE2 TYR A 70 4.712 5.922 6.569 1.00 61.42 C ATOM 1111 CZ TYR A 70 5.377 7.032 6.092 1.00 65.23 C ATOM 1112 OH TYR A 70 5.797 8.009 6.966 1.00 4.15 O ATOM 0 H TYR A 70 1.774 3.852 4.277 1.00 75.41 H new ATOM 0 HA TYR A 70 2.920 5.400 2.230 1.00 3.21 H new ATOM 0 HB2 TYR A 70 3.879 3.068 3.912 1.00 43.24 H new ATOM 0 HB3 TYR A 70 4.907 3.758 2.672 1.00 43.24 H new ATOM 0 HD1 TYR A 70 5.404 6.294 2.813 1.00 51.44 H new ATOM 0 HD2 TYR A 70 3.772 4.076 6.067 1.00 42.33 H new ATOM 0 HE1 TYR A 70 6.147 8.036 4.372 1.00 12.22 H new ATOM 0 HE2 TYR A 70 4.519 5.819 7.627 1.00 61.42 H new ATOM 0 HH TYR A 70 5.542 7.762 7.880 1.00 4.15 H new ATOM 1122 N ALA A 71 2.399 2.218 1.438 1.00 43.11 N ATOM 1123 CA ALA A 71 2.260 1.293 0.305 1.00 44.13 C ATOM 1124 C ALA A 71 1.257 1.828 -0.728 1.00 52.12 C ATOM 1125 O ALA A 71 1.476 1.737 -1.938 1.00 34.53 O ATOM 1126 CB ALA A 71 1.833 -0.085 0.805 1.00 12.40 C ATOM 0 H ALA A 71 2.180 1.805 2.345 1.00 43.11 H new ATOM 0 HA ALA A 71 3.229 1.206 -0.187 1.00 44.13 H new ATOM 0 HB1 ALA A 71 1.732 -0.764 -0.042 1.00 12.40 H new ATOM 0 HB2 ALA A 71 2.585 -0.472 1.493 1.00 12.40 H new ATOM 0 HB3 ALA A 71 0.876 -0.004 1.321 1.00 12.40 H new ATOM 1132 N ALA A 72 0.161 2.400 -0.235 1.00 44.22 N ATOM 1133 CA ALA A 72 -0.854 3.010 -1.094 1.00 11.13 C ATOM 1134 C ALA A 72 -0.310 4.258 -1.809 1.00 44.44 C ATOM 1135 O ALA A 72 -0.537 4.446 -3.003 1.00 42.23 O ATOM 1136 CB ALA A 72 -2.097 3.353 -0.280 1.00 24.40 C ATOM 0 H ALA A 72 -0.049 2.454 0.762 1.00 44.22 H new ATOM 0 HA ALA A 72 -1.126 2.285 -1.861 1.00 11.13 H new ATOM 0 HB1 ALA A 72 -2.845 3.806 -0.931 1.00 24.40 H new ATOM 0 HB2 ALA A 72 -2.504 2.444 0.163 1.00 24.40 H new ATOM 0 HB3 ALA A 72 -1.832 4.054 0.511 1.00 24.40 H new ATOM 1142 N LEU A 73 0.421 5.101 -1.077 1.00 34.04 N ATOM 1143 CA LEU A 73 1.062 6.288 -1.665 1.00 12.44 C ATOM 1144 C LEU A 73 2.075 5.898 -2.753 1.00 31.14 C ATOM 1145 O LEU A 73 2.136 6.527 -3.810 1.00 3.42 O ATOM 1146 CB LEU A 73 1.748 7.127 -0.573 1.00 55.23 C ATOM 1147 CG LEU A 73 0.801 7.965 0.304 1.00 44.21 C ATOM 1148 CD1 LEU A 73 1.572 8.674 1.415 1.00 44.01 C ATOM 1149 CD2 LEU A 73 0.038 8.972 -0.553 1.00 33.22 C ATOM 0 H LEU A 73 0.586 4.987 -0.077 1.00 34.04 H new ATOM 0 HA LEU A 73 0.282 6.888 -2.133 1.00 12.44 H new ATOM 0 HB2 LEU A 73 2.317 6.458 0.072 1.00 55.23 H new ATOM 0 HB3 LEU A 73 2.464 7.797 -1.049 1.00 55.23 H new ATOM 0 HG LEU A 73 0.081 7.293 0.772 1.00 44.21 H new ATOM 0 HD11 LEU A 73 0.881 9.260 2.021 1.00 44.01 H new ATOM 0 HD12 LEU A 73 2.068 7.934 2.043 1.00 44.01 H new ATOM 0 HD13 LEU A 73 2.319 9.335 0.975 1.00 44.01 H new ATOM 0 HD21 LEU A 73 -0.628 9.558 0.080 1.00 33.22 H new ATOM 0 HD22 LEU A 73 0.745 9.637 -1.049 1.00 33.22 H new ATOM 0 HD23 LEU A 73 -0.548 8.441 -1.303 1.00 33.22 H new ATOM 1161 N ALA A 74 2.857 4.851 -2.492 1.00 41.32 N ATOM 1162 CA ALA A 74 3.809 4.327 -3.478 1.00 15.52 C ATOM 1163 C ALA A 74 3.091 3.911 -4.772 1.00 43.10 C ATOM 1164 O ALA A 74 3.637 4.037 -5.870 1.00 62.44 O ATOM 1165 CB ALA A 74 4.578 3.146 -2.892 1.00 12.32 C ATOM 0 H ALA A 74 2.852 4.347 -1.606 1.00 41.32 H new ATOM 0 HA ALA A 74 4.515 5.120 -3.725 1.00 15.52 H new ATOM 0 HB1 ALA A 74 5.281 2.766 -3.633 1.00 12.32 H new ATOM 0 HB2 ALA A 74 5.124 3.471 -2.007 1.00 12.32 H new ATOM 0 HB3 ALA A 74 3.878 2.357 -2.617 1.00 12.32 H new ATOM 1171 N ALA A 75 1.862 3.416 -4.626 1.00 31.02 N ATOM 1172 CA ALA A 75 1.024 3.054 -5.772 1.00 34.50 C ATOM 1173 C ALA A 75 0.438 4.297 -6.460 1.00 24.42 C ATOM 1174 O ALA A 75 0.415 4.384 -7.684 1.00 64.31 O ATOM 1175 CB ALA A 75 -0.092 2.119 -5.326 1.00 33.31 C ATOM 0 H ALA A 75 1.421 3.255 -3.720 1.00 31.02 H new ATOM 0 HA ALA A 75 1.653 2.541 -6.500 1.00 34.50 H new ATOM 0 HB1 ALA A 75 -0.710 1.855 -6.184 1.00 33.31 H new ATOM 0 HB2 ALA A 75 0.340 1.215 -4.898 1.00 33.31 H new ATOM 0 HB3 ALA A 75 -0.706 2.617 -4.576 1.00 33.31 H new ATOM 1181 N LEU A 76 -0.032 5.258 -5.665 1.00 62.34 N ATOM 1182 CA LEU A 76 -0.618 6.494 -6.200 1.00 21.40 C ATOM 1183 C LEU A 76 0.414 7.317 -6.990 1.00 50.01 C ATOM 1184 O LEU A 76 0.216 7.606 -8.164 1.00 33.34 O ATOM 1185 CB LEU A 76 -1.208 7.343 -5.065 1.00 61.30 C ATOM 1186 CG LEU A 76 -2.456 6.761 -4.383 1.00 61.41 C ATOM 1187 CD1 LEU A 76 -2.900 7.648 -3.224 1.00 72.51 C ATOM 1188 CD2 LEU A 76 -3.592 6.582 -5.389 1.00 5.43 C ATOM 0 H LEU A 76 -0.020 5.207 -4.646 1.00 62.34 H new ATOM 0 HA LEU A 76 -1.415 6.207 -6.886 1.00 21.40 H new ATOM 0 HB2 LEU A 76 -0.438 7.492 -4.308 1.00 61.30 H new ATOM 0 HB3 LEU A 76 -1.458 8.326 -5.463 1.00 61.30 H new ATOM 0 HG LEU A 76 -2.197 5.780 -3.984 1.00 61.41 H new ATOM 0 HD11 LEU A 76 -3.785 7.218 -2.755 1.00 72.51 H new ATOM 0 HD12 LEU A 76 -2.097 7.716 -2.490 1.00 72.51 H new ATOM 0 HD13 LEU A 76 -3.136 8.644 -3.598 1.00 72.51 H new ATOM 0 HD21 LEU A 76 -4.464 6.169 -4.883 1.00 5.43 H new ATOM 0 HD22 LEU A 76 -3.848 7.548 -5.824 1.00 5.43 H new ATOM 0 HD23 LEU A 76 -3.275 5.901 -6.179 1.00 5.43 H new ATOM 1200 N GLU A 77 1.524 7.674 -6.347 1.00 34.40 N ATOM 1201 CA GLU A 77 2.575 8.478 -6.990 1.00 1.45 C ATOM 1202 C GLU A 77 3.118 7.814 -8.273 1.00 34.50 C ATOM 1203 O GLU A 77 3.654 8.487 -9.156 1.00 54.50 O ATOM 1204 CB GLU A 77 3.723 8.725 -5.998 1.00 52.13 C ATOM 1205 CG GLU A 77 3.317 9.518 -4.756 1.00 31.04 C ATOM 1206 CD GLU A 77 2.838 10.926 -5.081 1.00 53.03 C ATOM 1207 OE1 GLU A 77 3.681 11.771 -5.454 1.00 24.45 O ATOM 1208 OE2 GLU A 77 1.627 11.200 -4.956 1.00 75.01 O ATOM 0 H GLU A 77 1.724 7.421 -5.379 1.00 34.40 H new ATOM 0 HA GLU A 77 2.128 9.428 -7.282 1.00 1.45 H new ATOM 0 HB2 GLU A 77 4.131 7.764 -5.685 1.00 52.13 H new ATOM 0 HB3 GLU A 77 4.523 9.259 -6.511 1.00 52.13 H new ATOM 0 HG2 GLU A 77 2.525 8.982 -4.232 1.00 31.04 H new ATOM 0 HG3 GLU A 77 4.166 9.577 -4.075 1.00 31.04 H new ATOM 1215 N LYS A 78 2.978 6.495 -8.367 1.00 44.54 N ATOM 1216 CA LYS A 78 3.428 5.745 -9.545 1.00 12.54 C ATOM 1217 C LYS A 78 2.320 5.685 -10.615 1.00 12.32 C ATOM 1218 O LYS A 78 2.534 6.054 -11.774 1.00 1.51 O ATOM 1219 CB LYS A 78 3.847 4.323 -9.113 1.00 61.31 C ATOM 1220 CG LYS A 78 4.698 3.545 -10.129 1.00 32.04 C ATOM 1221 CD LYS A 78 3.884 3.019 -11.311 1.00 3.34 C ATOM 1222 CE LYS A 78 4.727 2.150 -12.243 1.00 4.12 C ATOM 1223 NZ LYS A 78 5.151 0.876 -11.598 1.00 21.51 N ATOM 0 H LYS A 78 2.555 5.917 -7.640 1.00 44.54 H new ATOM 0 HA LYS A 78 4.285 6.255 -9.986 1.00 12.54 H new ATOM 0 HB2 LYS A 78 4.404 4.396 -8.179 1.00 61.31 H new ATOM 0 HB3 LYS A 78 2.946 3.746 -8.903 1.00 61.31 H new ATOM 0 HG2 LYS A 78 5.492 4.193 -10.501 1.00 32.04 H new ATOM 0 HG3 LYS A 78 5.180 2.707 -9.625 1.00 32.04 H new ATOM 0 HD2 LYS A 78 3.039 2.439 -10.940 1.00 3.34 H new ATOM 0 HD3 LYS A 78 3.473 3.859 -11.871 1.00 3.34 H new ATOM 0 HE2 LYS A 78 4.155 1.926 -13.143 1.00 4.12 H new ATOM 0 HE3 LYS A 78 5.610 2.707 -12.556 1.00 4.12 H new ATOM 0 HZ1 LYS A 78 6.172 0.739 -11.738 1.00 21.51 H new ATOM 0 HZ2 LYS A 78 4.943 0.917 -10.580 1.00 21.51 H new ATOM 0 HZ3 LYS A 78 4.634 0.082 -12.025 1.00 21.51 H new ATOM 1237 N LEU A 79 1.135 5.231 -10.214 1.00 12.21 N ATOM 1238 CA LEU A 79 0.028 4.980 -11.147 1.00 72.21 C ATOM 1239 C LEU A 79 -0.843 6.225 -11.383 1.00 64.50 C ATOM 1240 O LEU A 79 -1.224 6.517 -12.516 1.00 21.34 O ATOM 1241 CB LEU A 79 -0.848 3.836 -10.613 1.00 22.44 C ATOM 1242 CG LEU A 79 -0.123 2.499 -10.393 1.00 64.14 C ATOM 1243 CD1 LEU A 79 -1.076 1.452 -9.825 1.00 55.45 C ATOM 1244 CD2 LEU A 79 0.506 2.013 -11.691 1.00 15.34 C ATOM 0 H LEU A 79 0.911 5.026 -9.240 1.00 12.21 H new ATOM 0 HA LEU A 79 0.471 4.707 -12.105 1.00 72.21 H new ATOM 0 HB2 LEU A 79 -1.290 4.150 -9.667 1.00 22.44 H new ATOM 0 HB3 LEU A 79 -1.670 3.674 -11.311 1.00 22.44 H new ATOM 0 HG LEU A 79 0.674 2.657 -9.666 1.00 64.14 H new ATOM 0 HD11 LEU A 79 -0.540 0.514 -9.678 1.00 55.45 H new ATOM 0 HD12 LEU A 79 -1.470 1.799 -8.870 1.00 55.45 H new ATOM 0 HD13 LEU A 79 -1.900 1.294 -10.521 1.00 55.45 H new ATOM 0 HD21 LEU A 79 1.015 1.065 -11.516 1.00 15.34 H new ATOM 0 HD22 LEU A 79 -0.271 1.874 -12.442 1.00 15.34 H new ATOM 0 HD23 LEU A 79 1.225 2.751 -12.045 1.00 15.34 H new ATOM 1256 N PHE A 80 -1.158 6.956 -10.314 1.00 30.44 N ATOM 1257 CA PHE A 80 -2.073 8.110 -10.400 1.00 2.41 C ATOM 1258 C PHE A 80 -1.452 9.398 -9.809 1.00 3.21 C ATOM 1259 O PHE A 80 -2.044 10.020 -8.921 1.00 64.32 O ATOM 1260 CB PHE A 80 -3.378 7.791 -9.651 1.00 12.23 C ATOM 1261 CG PHE A 80 -3.964 6.444 -9.990 1.00 25.31 C ATOM 1262 CD1 PHE A 80 -4.641 6.244 -11.185 1.00 33.34 C ATOM 1263 CD2 PHE A 80 -3.838 5.380 -9.109 1.00 43.43 C ATOM 1264 CE1 PHE A 80 -5.177 5.009 -11.494 1.00 25.21 C ATOM 1265 CE2 PHE A 80 -4.373 4.144 -9.413 1.00 35.22 C ATOM 1266 CZ PHE A 80 -5.044 3.959 -10.606 1.00 43.01 C ATOM 0 H PHE A 80 -0.797 6.776 -9.377 1.00 30.44 H new ATOM 0 HA PHE A 80 -2.270 8.289 -11.457 1.00 2.41 H new ATOM 0 HB2 PHE A 80 -3.190 7.835 -8.578 1.00 12.23 H new ATOM 0 HB3 PHE A 80 -4.113 8.563 -9.877 1.00 12.23 H new ATOM 0 HD1 PHE A 80 -4.750 7.063 -11.881 1.00 33.34 H new ATOM 0 HD2 PHE A 80 -3.315 5.520 -8.174 1.00 43.43 H new ATOM 0 HE1 PHE A 80 -5.699 4.864 -12.428 1.00 25.21 H new ATOM 0 HE2 PHE A 80 -4.267 3.323 -8.719 1.00 35.22 H new ATOM 0 HZ PHE A 80 -5.465 2.993 -10.845 1.00 43.01 H new