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 Single : A 18 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 21 MET CE :methyl -173:sc= -0.494 (180deg=-0.601) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= 0.454 (180deg=-1.04!) USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -172:sc= -0.317 (180deg=-0.461) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.06 F(o=-0.76,f=-0.06) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.75) USER MOD Single : A 58 GLN : amide:sc= 0.851 K(o=0.85,f=-0.54) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.26 K(o=-1.3,f=-12!) 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+ 165:sc= -0.0274 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.974 9.529 1.639 1.00 1.10 N ATOM 284 CA ASN A 18 -7.030 8.687 2.395 1.00 64.43 C ATOM 285 C ASN A 18 -6.413 7.600 1.487 1.00 53.44 C ATOM 286 O ASN A 18 -7.129 6.928 0.748 1.00 54.12 O ATOM 287 CB ASN A 18 -7.721 8.043 3.609 1.00 2.21 C ATOM 288 CG ASN A 18 -6.753 7.276 4.489 1.00 3.43 C ATOM 289 OD1 ASN A 18 -6.525 6.082 4.302 1.00 44.42 O ATOM 290 ND2 ASN A 18 -6.157 7.957 5.448 1.00 62.32 N ATOM 0 HA ASN A 18 -6.226 9.328 2.758 1.00 64.43 H new ATOM 0 HB2 ASN A 18 -8.208 8.819 4.200 1.00 2.21 H new ATOM 0 HB3 ASN A 18 -8.504 7.369 3.262 1.00 2.21 H new ATOM 0 HD21 ASN A 18 -5.485 7.494 6.060 1.00 62.32 H new ATOM 0 HD22 ASN A 18 -6.368 8.947 5.577 1.00 62.32 H new ATOM 297 N PRO A 19 -5.080 7.390 1.549 1.00 32.22 N ATOM 298 CA PRO A 19 -4.368 6.482 0.626 1.00 62.24 C ATOM 299 C PRO A 19 -5.055 5.118 0.434 1.00 1.22 C ATOM 300 O PRO A 19 -5.156 4.623 -0.690 1.00 24.14 O ATOM 301 CB PRO A 19 -2.976 6.313 1.269 1.00 33.54 C ATOM 302 CG PRO A 19 -3.066 6.965 2.615 1.00 21.25 C ATOM 303 CD PRO A 19 -4.156 7.996 2.517 1.00 24.50 C ATOM 0 HA PRO A 19 -4.340 6.900 -0.380 1.00 62.24 H new ATOM 0 HB2 PRO A 19 -2.714 5.259 1.362 1.00 33.54 H new ATOM 0 HB3 PRO A 19 -2.204 6.781 0.659 1.00 33.54 H new ATOM 0 HG2 PRO A 19 -3.295 6.231 3.387 1.00 21.25 H new ATOM 0 HG3 PRO A 19 -2.117 7.428 2.886 1.00 21.25 H new ATOM 0 HD2 PRO A 19 -4.635 8.173 3.480 1.00 24.50 H new ATOM 0 HD3 PRO A 19 -3.776 8.957 2.169 1.00 24.50 H new ATOM 311 N VAL A 20 -5.533 4.520 1.523 1.00 51.13 N ATOM 312 CA VAL A 20 -6.193 3.210 1.451 1.00 61.14 C ATOM 313 C VAL A 20 -7.513 3.273 0.664 1.00 33.03 C ATOM 314 O VAL A 20 -7.704 2.536 -0.302 1.00 0.33 O ATOM 315 CB VAL A 20 -6.470 2.629 2.862 1.00 1.15 C ATOM 316 CG1 VAL A 20 -7.151 1.260 2.764 1.00 72.44 C ATOM 317 CG2 VAL A 20 -5.172 2.535 3.669 1.00 44.21 C ATOM 0 H VAL A 20 -5.478 4.915 2.462 1.00 51.13 H new ATOM 0 HA VAL A 20 -5.501 2.553 0.924 1.00 61.14 H new ATOM 0 HB VAL A 20 -7.148 3.305 3.383 1.00 1.15 H new ATOM 0 HG11 VAL A 20 -7.335 0.873 3.766 1.00 72.44 H new ATOM 0 HG12 VAL A 20 -8.098 1.362 2.235 1.00 72.44 H new ATOM 0 HG13 VAL A 20 -6.505 0.570 2.221 1.00 72.44 H new ATOM 0 HG21 VAL A 20 -5.386 2.125 4.656 1.00 44.21 H new ATOM 0 HG22 VAL A 20 -4.468 1.884 3.151 1.00 44.21 H new ATOM 0 HG23 VAL A 20 -4.737 3.529 3.775 1.00 44.21 H new ATOM 327 N MET A 21 -8.416 4.169 1.065 1.00 4.43 N ATOM 328 CA MET A 21 -9.751 4.244 0.453 1.00 22.13 C ATOM 329 C MET A 21 -9.707 4.872 -0.954 1.00 65.32 C ATOM 330 O MET A 21 -10.494 4.503 -1.831 1.00 1.22 O ATOM 331 CB MET A 21 -10.715 5.025 1.357 1.00 21.42 C ATOM 332 CG MET A 21 -10.844 4.443 2.763 1.00 63.21 C ATOM 333 SD MET A 21 -12.104 5.271 3.758 1.00 50.43 S ATOM 334 CE MET A 21 -11.513 6.964 3.732 1.00 5.12 C ATOM 0 H MET A 21 -8.253 4.851 1.806 1.00 4.43 H new ATOM 0 HA MET A 21 -10.115 3.222 0.344 1.00 22.13 H new ATOM 0 HB2 MET A 21 -10.374 6.058 1.431 1.00 21.42 H new ATOM 0 HB3 MET A 21 -11.700 5.047 0.890 1.00 21.42 H new ATOM 0 HG2 MET A 21 -11.085 3.383 2.690 1.00 63.21 H new ATOM 0 HG3 MET A 21 -9.882 4.517 3.270 1.00 63.21 H new ATOM 0 HE1 MET A 21 -12.118 7.571 4.406 1.00 5.12 H new ATOM 0 HE2 MET A 21 -10.472 6.991 4.055 1.00 5.12 H new ATOM 0 HE3 MET A 21 -11.589 7.360 2.720 1.00 5.12 H new ATOM 344 N GLU A 22 -8.791 5.813 -1.163 1.00 22.44 N ATOM 345 CA GLU A 22 -8.595 6.427 -2.481 1.00 72.13 C ATOM 346 C GLU A 22 -8.116 5.388 -3.503 1.00 54.34 C ATOM 347 O GLU A 22 -8.775 5.150 -4.520 1.00 22.02 O ATOM 348 CB GLU A 22 -7.595 7.591 -2.385 1.00 41.42 C ATOM 349 CG GLU A 22 -7.346 8.312 -3.709 1.00 43.33 C ATOM 350 CD GLU A 22 -6.660 9.662 -3.528 1.00 54.12 C ATOM 351 OE1 GLU A 22 -7.082 10.432 -2.637 1.00 24.40 O ATOM 352 OE2 GLU A 22 -5.700 9.960 -4.269 1.00 14.41 O ATOM 0 H GLU A 22 -8.169 6.170 -0.438 1.00 22.44 H new ATOM 0 HA GLU A 22 -9.553 6.819 -2.822 1.00 72.13 H new ATOM 0 HB2 GLU A 22 -7.963 8.312 -1.655 1.00 41.42 H new ATOM 0 HB3 GLU A 22 -6.646 7.210 -2.007 1.00 41.42 H new ATOM 0 HG2 GLU A 22 -6.732 7.681 -4.351 1.00 43.33 H new ATOM 0 HG3 GLU A 22 -8.297 8.459 -4.222 1.00 43.33 H new ATOM 359 N LEU A 23 -6.979 4.758 -3.216 1.00 1.45 N ATOM 360 CA LEU A 23 -6.440 3.700 -4.079 1.00 43.45 C ATOM 361 C LEU A 23 -7.451 2.552 -4.227 1.00 42.21 C ATOM 362 O LEU A 23 -7.562 1.939 -5.288 1.00 23.02 O ATOM 363 CB LEU A 23 -5.117 3.173 -3.503 1.00 24.23 C ATOM 364 CG LEU A 23 -4.419 2.083 -4.335 1.00 30.30 C ATOM 365 CD1 LEU A 23 -4.034 2.609 -5.718 1.00 54.41 C ATOM 366 CD2 LEU A 23 -3.194 1.543 -3.595 1.00 13.40 C ATOM 0 H LEU A 23 -6.410 4.959 -2.393 1.00 1.45 H new ATOM 0 HA LEU A 23 -6.253 4.121 -5.067 1.00 43.45 H new ATOM 0 HB2 LEU A 23 -4.431 4.012 -3.388 1.00 24.23 H new ATOM 0 HB3 LEU A 23 -5.307 2.778 -2.505 1.00 24.23 H new ATOM 0 HG LEU A 23 -5.122 1.262 -4.476 1.00 30.30 H new ATOM 0 HD11 LEU A 23 -3.543 1.818 -6.284 1.00 54.41 H new ATOM 0 HD12 LEU A 23 -4.931 2.931 -6.247 1.00 54.41 H new ATOM 0 HD13 LEU A 23 -3.354 3.454 -5.610 1.00 54.41 H new ATOM 0 HD21 LEU A 23 -2.714 0.773 -4.199 1.00 13.40 H new ATOM 0 HD22 LEU A 23 -2.490 2.355 -3.416 1.00 13.40 H new ATOM 0 HD23 LEU A 23 -3.504 1.115 -2.642 1.00 13.40 H new ATOM 378 N ASN A 24 -8.190 2.287 -3.147 1.00 53.54 N ATOM 379 CA ASN A 24 -9.268 1.287 -3.137 1.00 23.12 C ATOM 380 C ASN A 24 -10.238 1.485 -4.322 1.00 62.20 C ATOM 381 O ASN A 24 -10.728 0.521 -4.910 1.00 74.11 O ATOM 382 CB ASN A 24 -10.037 1.394 -1.811 1.00 21.13 C ATOM 383 CG ASN A 24 -11.020 0.263 -1.588 1.00 0.32 C ATOM 384 OD1 ASN A 24 -12.158 0.305 -2.047 1.00 10.35 O ATOM 385 ND2 ASN A 24 -10.601 -0.742 -0.846 1.00 32.42 N ATOM 0 H ASN A 24 -8.060 2.759 -2.252 1.00 53.54 H new ATOM 0 HA ASN A 24 -8.822 0.297 -3.237 1.00 23.12 H new ATOM 0 HB2 ASN A 24 -9.324 1.412 -0.987 1.00 21.13 H new ATOM 0 HB3 ASN A 24 -10.575 2.342 -1.788 1.00 21.13 H new ATOM 0 HD21 ASN A 24 -11.229 -1.518 -0.637 1.00 32.42 H new ATOM 0 HD22 ASN A 24 -9.649 -0.744 -0.481 1.00 32.42 H new ATOM 392 N GLU A 25 -10.519 2.748 -4.655 1.00 21.30 N ATOM 393 CA GLU A 25 -11.409 3.082 -5.778 1.00 30.30 C ATOM 394 C GLU A 25 -10.625 3.281 -7.085 1.00 33.13 C ATOM 395 O GLU A 25 -11.174 3.125 -8.179 1.00 24.33 O ATOM 396 CB GLU A 25 -12.209 4.353 -5.474 1.00 53.03 C ATOM 397 CG GLU A 25 -13.024 4.283 -4.191 1.00 12.02 C ATOM 398 CD GLU A 25 -13.876 5.522 -3.975 1.00 30.01 C ATOM 399 OE1 GLU A 25 -13.305 6.613 -3.766 1.00 65.12 O ATOM 400 OE2 GLU A 25 -15.119 5.411 -4.026 1.00 0.22 O ATOM 0 H GLU A 25 -10.144 3.559 -4.164 1.00 21.30 H new ATOM 0 HA GLU A 25 -12.090 2.241 -5.906 1.00 30.30 H new ATOM 0 HB2 GLU A 25 -11.521 5.196 -5.409 1.00 53.03 H new ATOM 0 HB3 GLU A 25 -12.881 4.554 -6.308 1.00 53.03 H new ATOM 0 HG2 GLU A 25 -13.668 3.404 -4.221 1.00 12.02 H new ATOM 0 HG3 GLU A 25 -12.351 4.157 -3.343 1.00 12.02 H new ATOM 407 N LYS A 26 -9.348 3.646 -6.970 1.00 75.54 N ATOM 408 CA LYS A 26 -8.489 3.824 -8.147 1.00 54.33 C ATOM 409 C LYS A 26 -8.222 2.470 -8.833 1.00 41.11 C ATOM 410 O LYS A 26 -8.074 2.396 -10.053 1.00 24.25 O ATOM 411 CB LYS A 26 -7.166 4.510 -7.754 1.00 23.42 C ATOM 412 CG LYS A 26 -7.338 5.921 -7.188 1.00 64.51 C ATOM 413 CD LYS A 26 -7.954 6.891 -8.198 1.00 55.14 C ATOM 414 CE LYS A 26 -7.033 7.146 -9.386 1.00 62.04 C ATOM 415 NZ LYS A 26 -7.640 8.069 -10.382 1.00 23.53 N ATOM 0 H LYS A 26 -8.885 3.824 -6.079 1.00 75.54 H new ATOM 0 HA LYS A 26 -9.007 4.468 -8.857 1.00 54.33 H new ATOM 0 HB2 LYS A 26 -6.655 3.893 -7.015 1.00 23.42 H new ATOM 0 HB3 LYS A 26 -6.520 4.558 -8.630 1.00 23.42 H new ATOM 0 HG2 LYS A 26 -7.969 5.878 -6.300 1.00 64.51 H new ATOM 0 HG3 LYS A 26 -6.367 6.302 -6.870 1.00 64.51 H new ATOM 0 HD2 LYS A 26 -8.902 6.488 -8.555 1.00 55.14 H new ATOM 0 HD3 LYS A 26 -8.176 7.836 -7.703 1.00 55.14 H new ATOM 0 HE2 LYS A 26 -6.092 7.566 -9.030 1.00 62.04 H new ATOM 0 HE3 LYS A 26 -6.796 6.198 -9.869 1.00 62.04 H new ATOM 0 HZ1 LYS A 26 -6.978 8.212 -11.171 1.00 23.53 H new ATOM 0 HZ2 LYS A 26 -8.524 7.658 -10.743 1.00 23.53 H new ATOM 0 HZ3 LYS A 26 -7.843 8.983 -9.930 1.00 23.53 H new ATOM 429 N ARG A 27 -8.175 1.406 -8.031 1.00 55.11 N ATOM 430 CA ARG A 27 -8.085 0.026 -8.534 1.00 34.12 C ATOM 431 C ARG A 27 -8.837 -0.941 -7.605 1.00 45.35 C ATOM 432 O ARG A 27 -8.480 -1.105 -6.441 1.00 1.50 O ATOM 433 CB ARG A 27 -6.618 -0.418 -8.690 1.00 35.15 C ATOM 434 CG ARG A 27 -5.920 0.173 -9.915 1.00 25.33 C ATOM 435 CD ARG A 27 -6.564 -0.305 -11.218 1.00 32.30 C ATOM 436 NE ARG A 27 -6.030 0.382 -12.392 1.00 31.31 N ATOM 437 CZ ARG A 27 -6.427 0.149 -13.617 1.00 5.52 C ATOM 438 NH1 ARG A 27 -7.314 -0.764 -13.866 1.00 65.12 N ATOM 439 NH2 ARG A 27 -5.933 0.825 -14.599 1.00 52.45 N ATOM 0 H ARG A 27 -8.198 1.472 -7.013 1.00 55.11 H new ATOM 0 HA ARG A 27 -8.553 0.002 -9.518 1.00 34.12 H new ATOM 0 HB2 ARG A 27 -6.065 -0.132 -7.795 1.00 35.15 H new ATOM 0 HB3 ARG A 27 -6.582 -1.506 -8.753 1.00 35.15 H new ATOM 0 HG2 ARG A 27 -5.960 1.261 -9.867 1.00 25.33 H new ATOM 0 HG3 ARG A 27 -4.867 -0.108 -9.905 1.00 25.33 H new ATOM 0 HD2 ARG A 27 -6.405 -1.378 -11.326 1.00 32.30 H new ATOM 0 HD3 ARG A 27 -7.641 -0.146 -11.167 1.00 32.30 H new ATOM 0 HE ARG A 27 -5.305 1.085 -12.248 1.00 31.31 H new ATOM 0 HH11 ARG A 27 -7.711 -1.311 -13.102 1.00 65.12 H new ATOM 0 HH12 ARG A 27 -7.614 -0.935 -14.826 1.00 65.12 H new ATOM 0 HH21 ARG A 27 -5.231 1.543 -14.422 1.00 52.45 H new ATOM 0 HH22 ARG A 27 -6.245 0.641 -15.553 1.00 52.45 H new ATOM 453 N ARG A 28 -9.882 -1.573 -8.128 1.00 0.12 N ATOM 454 CA ARG A 28 -10.716 -2.485 -7.336 1.00 75.14 C ATOM 455 C ARG A 28 -10.114 -3.899 -7.249 1.00 15.31 C ATOM 456 O ARG A 28 -9.731 -4.490 -8.263 1.00 25.32 O ATOM 457 CB ARG A 28 -12.121 -2.555 -7.942 1.00 64.23 C ATOM 458 CG ARG A 28 -12.873 -1.226 -7.920 1.00 14.54 C ATOM 459 CD ARG A 28 -13.170 -0.767 -6.500 1.00 23.21 C ATOM 460 NE ARG A 28 -13.872 0.515 -6.470 1.00 64.20 N ATOM 461 CZ ARG A 28 -14.756 0.845 -5.571 1.00 12.43 C ATOM 462 NH1 ARG A 28 -15.129 -0.005 -4.666 1.00 25.21 N ATOM 463 NH2 ARG A 28 -15.282 2.026 -5.587 1.00 63.33 N ATOM 0 H ARG A 28 -10.177 -1.473 -9.099 1.00 0.12 H new ATOM 0 HA ARG A 28 -10.764 -2.089 -6.322 1.00 75.14 H new ATOM 0 HB2 ARG A 28 -12.044 -2.900 -8.973 1.00 64.23 H new ATOM 0 HB3 ARG A 28 -12.703 -3.299 -7.399 1.00 64.23 H new ATOM 0 HG2 ARG A 28 -12.282 -0.466 -8.431 1.00 14.54 H new ATOM 0 HG3 ARG A 28 -13.807 -1.328 -8.472 1.00 14.54 H new ATOM 0 HD2 ARG A 28 -13.773 -1.521 -5.995 1.00 23.21 H new ATOM 0 HD3 ARG A 28 -12.236 -0.681 -5.945 1.00 23.21 H new ATOM 0 HE ARG A 28 -13.656 1.195 -7.199 1.00 64.20 H new ATOM 0 HH11 ARG A 28 -14.730 -0.944 -4.652 1.00 25.21 H new ATOM 0 HH12 ARG A 28 -15.822 0.265 -3.968 1.00 25.21 H new ATOM 0 HH21 ARG A 28 -15.005 2.698 -6.303 1.00 63.33 H new ATOM 0 HH22 ARG A 28 -15.974 2.286 -4.884 1.00 63.33 H new ATOM 477 N GLY A 29 -10.046 -4.437 -6.028 1.00 3.21 N ATOM 478 CA GLY A 29 -9.556 -5.801 -5.820 1.00 50.40 C ATOM 479 C GLY A 29 -8.094 -5.860 -5.385 1.00 10.40 C ATOM 480 O GLY A 29 -7.302 -6.626 -5.938 1.00 62.25 O ATOM 0 H GLY A 29 -10.322 -3.952 -5.174 1.00 3.21 H new ATOM 0 HA2 GLY A 29 -10.172 -6.289 -5.065 1.00 50.40 H new ATOM 0 HA3 GLY A 29 -9.676 -6.367 -6.744 1.00 50.40 H new ATOM 484 N LEU A 30 -7.734 -5.063 -4.381 1.00 2.12 N ATOM 485 CA LEU A 30 -6.345 -4.997 -3.908 1.00 35.44 C ATOM 486 C LEU A 30 -6.122 -5.831 -2.640 1.00 31.14 C ATOM 487 O LEU A 30 -7.030 -6.012 -1.822 1.00 72.43 O ATOM 488 CB LEU A 30 -5.946 -3.547 -3.637 1.00 42.24 C ATOM 489 CG LEU A 30 -6.273 -2.557 -4.764 1.00 21.40 C ATOM 490 CD1 LEU A 30 -5.804 -1.152 -4.404 1.00 52.13 C ATOM 491 CD2 LEU A 30 -5.650 -3.010 -6.081 1.00 42.51 C ATOM 0 H LEU A 30 -8.380 -4.454 -3.878 1.00 2.12 H new ATOM 0 HA LEU A 30 -5.720 -5.414 -4.698 1.00 35.44 H new ATOM 0 HB2 LEU A 30 -6.445 -3.214 -2.727 1.00 42.24 H new ATOM 0 HB3 LEU A 30 -4.874 -3.512 -3.444 1.00 42.24 H new ATOM 0 HG LEU A 30 -7.356 -2.534 -4.889 1.00 21.40 H new ATOM 0 HD11 LEU A 30 -6.046 -0.468 -5.217 1.00 52.13 H new ATOM 0 HD12 LEU A 30 -6.304 -0.824 -3.493 1.00 52.13 H new ATOM 0 HD13 LEU A 30 -4.726 -1.158 -4.244 1.00 52.13 H new ATOM 0 HD21 LEU A 30 -5.895 -2.293 -6.865 1.00 42.51 H new ATOM 0 HD22 LEU A 30 -4.567 -3.070 -5.970 1.00 42.51 H new ATOM 0 HD23 LEU A 30 -6.042 -3.991 -6.351 1.00 42.51 H new ATOM 503 N LYS A 31 -4.890 -6.304 -2.474 1.00 3.53 N ATOM 504 CA LYS A 31 -4.518 -7.165 -1.342 1.00 24.42 C ATOM 505 C LYS A 31 -3.397 -6.534 -0.495 1.00 41.44 C ATOM 506 O LYS A 31 -2.254 -6.438 -0.937 1.00 11.35 O ATOM 507 CB LYS A 31 -4.087 -8.549 -1.863 1.00 33.24 C ATOM 508 CG LYS A 31 -3.554 -9.493 -0.780 1.00 31.12 C ATOM 509 CD LYS A 31 -3.438 -10.934 -1.284 1.00 61.44 C ATOM 510 CE LYS A 31 -2.558 -11.048 -2.527 1.00 41.04 C ATOM 511 NZ LYS A 31 -1.123 -10.787 -2.237 1.00 61.24 N ATOM 0 H LYS A 31 -4.121 -6.106 -3.114 1.00 3.53 H new ATOM 0 HA LYS A 31 -5.390 -7.277 -0.697 1.00 24.42 H new ATOM 0 HB2 LYS A 31 -4.939 -9.021 -2.353 1.00 33.24 H new ATOM 0 HB3 LYS A 31 -3.317 -8.415 -2.622 1.00 33.24 H new ATOM 0 HG2 LYS A 31 -2.576 -9.146 -0.445 1.00 31.12 H new ATOM 0 HG3 LYS A 31 -4.216 -9.463 0.085 1.00 31.12 H new ATOM 0 HD2 LYS A 31 -3.027 -11.561 -0.493 1.00 61.44 H new ATOM 0 HD3 LYS A 31 -4.433 -11.318 -1.510 1.00 61.44 H new ATOM 0 HE2 LYS A 31 -2.663 -12.046 -2.952 1.00 41.04 H new ATOM 0 HE3 LYS A 31 -2.907 -10.342 -3.281 1.00 41.04 H new ATOM 0 HZ1 LYS A 31 -0.713 -10.214 -3.002 1.00 61.24 H new ATOM 0 HZ2 LYS A 31 -1.039 -10.273 -1.337 1.00 61.24 H new ATOM 0 HZ3 LYS A 31 -0.613 -11.691 -2.169 1.00 61.24 H new ATOM 525 N TYR A 32 -3.742 -6.100 0.718 1.00 62.15 N ATOM 526 CA TYR A 32 -2.775 -5.481 1.641 1.00 61.34 C ATOM 527 C TYR A 32 -2.268 -6.498 2.678 1.00 72.12 C ATOM 528 O TYR A 32 -3.012 -6.913 3.568 1.00 75.43 O ATOM 529 CB TYR A 32 -3.417 -4.291 2.371 1.00 60.24 C ATOM 530 CG TYR A 32 -3.871 -3.165 1.457 1.00 71.41 C ATOM 531 CD1 TYR A 32 -5.009 -3.297 0.667 1.00 32.14 C ATOM 532 CD2 TYR A 32 -3.171 -1.962 1.396 1.00 62.02 C ATOM 533 CE1 TYR A 32 -5.430 -2.271 -0.157 1.00 21.14 C ATOM 534 CE2 TYR A 32 -3.591 -0.931 0.576 1.00 72.31 C ATOM 535 CZ TYR A 32 -4.722 -1.090 -0.195 1.00 61.01 C ATOM 536 OH TYR A 32 -5.151 -0.066 -1.006 1.00 43.33 O ATOM 0 H TYR A 32 -4.689 -6.164 1.091 1.00 62.15 H new ATOM 0 HA TYR A 32 -1.930 -5.133 1.048 1.00 61.34 H new ATOM 0 HB2 TYR A 32 -4.275 -4.649 2.940 1.00 60.24 H new ATOM 0 HB3 TYR A 32 -2.701 -3.893 3.090 1.00 60.24 H new ATOM 0 HD1 TYR A 32 -5.573 -4.218 0.699 1.00 32.14 H new ATOM 0 HD2 TYR A 32 -2.285 -1.832 2.000 1.00 62.02 H new ATOM 0 HE1 TYR A 32 -6.311 -2.395 -0.769 1.00 21.14 H new ATOM 0 HE2 TYR A 32 -3.035 -0.006 0.540 1.00 72.31 H new ATOM 0 HH TYR A 32 -4.701 0.766 -0.748 1.00 43.33 H new ATOM 546 N GLU A 33 -1.001 -6.885 2.565 1.00 31.12 N ATOM 547 CA GLU A 33 -0.404 -7.888 3.459 1.00 65.04 C ATOM 548 C GLU A 33 0.822 -7.331 4.201 1.00 24.33 C ATOM 549 O GLU A 33 1.390 -6.308 3.813 1.00 63.51 O ATOM 550 CB GLU A 33 -0.008 -9.125 2.644 1.00 2.53 C ATOM 551 CG GLU A 33 1.051 -8.835 1.586 1.00 11.11 C ATOM 552 CD GLU A 33 1.170 -9.940 0.550 1.00 60.05 C ATOM 553 OE1 GLU A 33 0.452 -9.885 -0.471 1.00 53.31 O ATOM 554 OE2 GLU A 33 1.979 -10.869 0.753 1.00 14.04 O ATOM 0 H GLU A 33 -0.360 -6.520 1.861 1.00 31.12 H new ATOM 0 HA GLU A 33 -1.146 -8.160 4.210 1.00 65.04 H new ATOM 0 HB2 GLU A 33 0.365 -9.894 3.321 1.00 2.53 H new ATOM 0 HB3 GLU A 33 -0.895 -9.531 2.159 1.00 2.53 H new ATOM 0 HG2 GLU A 33 0.809 -7.898 1.084 1.00 11.11 H new ATOM 0 HG3 GLU A 33 2.016 -8.696 2.074 1.00 11.11 H new ATOM 561 N LEU A 34 1.222 -8.011 5.272 1.00 4.45 N ATOM 562 CA LEU A 34 2.378 -7.592 6.077 1.00 14.43 C ATOM 563 C LEU A 34 3.640 -8.373 5.678 1.00 21.44 C ATOM 564 O LEU A 34 3.679 -9.604 5.771 1.00 74.42 O ATOM 565 CB LEU A 34 2.092 -7.790 7.574 1.00 24.30 C ATOM 566 CG LEU A 34 3.251 -7.430 8.527 1.00 22.12 C ATOM 567 CD1 LEU A 34 3.657 -5.964 8.374 1.00 71.44 C ATOM 568 CD2 LEU A 34 2.874 -7.740 9.979 1.00 44.13 C ATOM 0 H LEU A 34 0.764 -8.858 5.608 1.00 4.45 H new ATOM 0 HA LEU A 34 2.552 -6.533 5.886 1.00 14.43 H new ATOM 0 HB2 LEU A 34 1.224 -7.188 7.843 1.00 24.30 H new ATOM 0 HB3 LEU A 34 1.820 -8.833 7.739 1.00 24.30 H new ATOM 0 HG LEU A 34 4.110 -8.044 8.257 1.00 22.12 H new ATOM 0 HD11 LEU A 34 4.476 -5.740 9.058 1.00 71.44 H new ATOM 0 HD12 LEU A 34 3.980 -5.781 7.349 1.00 71.44 H new ATOM 0 HD13 LEU A 34 2.805 -5.324 8.606 1.00 71.44 H new ATOM 0 HD21 LEU A 34 3.705 -7.479 10.634 1.00 44.13 H new ATOM 0 HD22 LEU A 34 1.995 -7.159 10.259 1.00 44.13 H new ATOM 0 HD23 LEU A 34 2.653 -8.803 10.079 1.00 44.13 H new ATOM 580 N ILE A 35 4.669 -7.648 5.246 1.00 41.11 N ATOM 581 CA ILE A 35 5.930 -8.255 4.808 1.00 64.00 C ATOM 582 C ILE A 35 6.924 -8.401 5.967 1.00 70.12 C ATOM 583 O ILE A 35 7.354 -9.508 6.299 1.00 3.31 O ATOM 584 CB ILE A 35 6.597 -7.416 3.688 1.00 14.51 C ATOM 585 CG1 ILE A 35 5.623 -7.204 2.520 1.00 33.24 C ATOM 586 CG2 ILE A 35 7.885 -8.083 3.207 1.00 34.22 C ATOM 587 CD1 ILE A 35 5.143 -8.490 1.872 1.00 51.15 C ATOM 0 H ILE A 35 4.656 -6.630 5.189 1.00 41.11 H new ATOM 0 HA ILE A 35 5.679 -9.245 4.426 1.00 64.00 H new ATOM 0 HB ILE A 35 6.855 -6.440 4.098 1.00 14.51 H new ATOM 0 HG12 ILE A 35 4.758 -6.646 2.879 1.00 33.24 H new ATOM 0 HG13 ILE A 35 6.109 -6.588 1.763 1.00 33.24 H new ATOM 0 HG21 ILE A 35 8.337 -7.478 2.421 1.00 34.22 H new ATOM 0 HG22 ILE A 35 8.581 -8.173 4.041 1.00 34.22 H new ATOM 0 HG23 ILE A 35 7.657 -9.074 2.815 1.00 34.22 H new ATOM 0 HD11 ILE A 35 4.459 -8.253 1.057 1.00 51.15 H new ATOM 0 HD12 ILE A 35 5.998 -9.041 1.480 1.00 51.15 H new ATOM 0 HD13 ILE A 35 4.627 -9.100 2.613 1.00 51.15 H new ATOM 599 N SER A 36 7.290 -7.276 6.583 1.00 34.51 N ATOM 600 CA SER A 36 8.330 -7.267 7.631 1.00 32.54 C ATOM 601 C SER A 36 7.847 -6.599 8.924 1.00 32.42 C ATOM 602 O SER A 36 7.082 -5.631 8.894 1.00 51.43 O ATOM 603 CB SER A 36 9.590 -6.552 7.121 1.00 60.12 C ATOM 604 OG SER A 36 10.604 -6.511 8.116 1.00 21.13 O ATOM 0 H SER A 36 6.888 -6.360 6.381 1.00 34.51 H new ATOM 0 HA SER A 36 8.561 -8.307 7.862 1.00 32.54 H new ATOM 0 HB2 SER A 36 9.967 -7.064 6.236 1.00 60.12 H new ATOM 0 HB3 SER A 36 9.336 -5.537 6.817 1.00 60.12 H new ATOM 0 HG SER A 36 11.393 -6.051 7.760 1.00 21.13 H new ATOM 740 N PHE A 46 6.871 -1.538 10.574 1.00 52.04 N ATOM 741 CA PHE A 46 5.961 -2.411 9.820 1.00 12.31 C ATOM 742 C PHE A 46 6.040 -2.128 8.315 1.00 22.12 C ATOM 743 O PHE A 46 5.711 -1.033 7.861 1.00 60.10 O ATOM 744 CB PHE A 46 4.510 -2.234 10.295 1.00 52.32 C ATOM 745 CG PHE A 46 4.263 -2.693 11.711 1.00 63.42 C ATOM 746 CD1 PHE A 46 4.253 -4.045 12.024 1.00 71.21 C ATOM 747 CD2 PHE A 46 4.033 -1.776 12.725 1.00 32.52 C ATOM 748 CE1 PHE A 46 4.021 -4.469 13.320 1.00 34.33 C ATOM 749 CE2 PHE A 46 3.800 -2.196 14.020 1.00 41.33 C ATOM 750 CZ PHE A 46 3.796 -3.543 14.319 1.00 64.05 C ATOM 0 HA PHE A 46 6.275 -3.439 10.003 1.00 12.31 H new ATOM 0 HB2 PHE A 46 4.239 -1.181 10.213 1.00 52.32 H new ATOM 0 HB3 PHE A 46 3.850 -2.786 9.626 1.00 52.32 H new ATOM 0 HD1 PHE A 46 4.428 -4.774 11.247 1.00 71.21 H new ATOM 0 HD2 PHE A 46 4.036 -0.720 12.499 1.00 32.52 H new ATOM 0 HE1 PHE A 46 4.016 -5.524 13.550 1.00 34.33 H new ATOM 0 HE2 PHE A 46 3.621 -1.470 14.799 1.00 41.33 H new ATOM 0 HZ PHE A 46 3.617 -3.872 15.332 1.00 64.05 H new ATOM 760 N VAL A 47 6.481 -3.119 7.547 1.00 52.13 N ATOM 761 CA VAL A 47 6.544 -3.003 6.088 1.00 33.32 C ATOM 762 C VAL A 47 5.395 -3.784 5.428 1.00 62.45 C ATOM 763 O VAL A 47 5.377 -5.018 5.455 1.00 22.21 O ATOM 764 CB VAL A 47 7.898 -3.519 5.535 1.00 63.35 C ATOM 765 CG1 VAL A 47 7.979 -3.328 4.018 1.00 61.52 C ATOM 766 CG2 VAL A 47 9.068 -2.826 6.234 1.00 51.32 C ATOM 0 H VAL A 47 6.802 -4.017 7.910 1.00 52.13 H new ATOM 0 HA VAL A 47 6.448 -1.945 5.846 1.00 33.32 H new ATOM 0 HB VAL A 47 7.962 -4.587 5.743 1.00 63.35 H new ATOM 0 HG11 VAL A 47 8.938 -3.698 3.655 1.00 61.52 H new ATOM 0 HG12 VAL A 47 7.172 -3.881 3.538 1.00 61.52 H new ATOM 0 HG13 VAL A 47 7.885 -2.269 3.779 1.00 61.52 H new ATOM 0 HG21 VAL A 47 10.008 -3.203 5.831 1.00 51.32 H new ATOM 0 HG22 VAL A 47 9.007 -1.751 6.066 1.00 51.32 H new ATOM 0 HG23 VAL A 47 9.025 -3.030 7.304 1.00 51.32 H new ATOM 776 N MET A 48 4.445 -3.056 4.847 1.00 71.52 N ATOM 777 CA MET A 48 3.276 -3.656 4.190 1.00 74.23 C ATOM 778 C MET A 48 3.455 -3.686 2.665 1.00 52.30 C ATOM 779 O MET A 48 4.236 -2.914 2.105 1.00 4.21 O ATOM 780 CB MET A 48 2.011 -2.857 4.539 1.00 21.21 C ATOM 781 CG MET A 48 1.758 -2.713 6.035 1.00 62.22 C ATOM 782 SD MET A 48 1.329 -4.269 6.840 1.00 51.00 S ATOM 783 CE MET A 48 -0.282 -4.585 6.123 1.00 41.41 C ATOM 0 H MET A 48 4.459 -2.037 4.816 1.00 71.52 H new ATOM 0 HA MET A 48 3.176 -4.680 4.549 1.00 74.23 H new ATOM 0 HB2 MET A 48 2.089 -1.863 4.097 1.00 21.21 H new ATOM 0 HB3 MET A 48 1.150 -3.343 4.081 1.00 21.21 H new ATOM 0 HG2 MET A 48 2.649 -2.300 6.509 1.00 62.22 H new ATOM 0 HG3 MET A 48 0.952 -1.996 6.193 1.00 62.22 H new ATOM 0 HE1 MET A 48 -0.743 -5.436 6.624 1.00 41.41 H new ATOM 0 HE2 MET A 48 -0.914 -3.706 6.246 1.00 41.41 H new ATOM 0 HE3 MET A 48 -0.171 -4.806 5.061 1.00 41.41 H new ATOM 793 N GLU A 49 2.727 -4.577 1.996 1.00 34.32 N ATOM 794 CA GLU A 49 2.763 -4.674 0.530 1.00 73.53 C ATOM 795 C GLU A 49 1.347 -4.825 -0.049 1.00 1.05 C ATOM 796 O GLU A 49 0.478 -5.451 0.559 1.00 64.42 O ATOM 797 CB GLU A 49 3.645 -5.859 0.099 1.00 0.22 C ATOM 798 CG GLU A 49 3.749 -6.057 -1.413 1.00 1.31 C ATOM 799 CD GLU A 49 4.735 -7.151 -1.798 1.00 24.13 C ATOM 800 OE1 GLU A 49 5.933 -6.839 -1.981 1.00 71.52 O ATOM 801 OE2 GLU A 49 4.325 -8.322 -1.927 1.00 34.54 O ATOM 0 H GLU A 49 2.101 -5.247 2.444 1.00 34.32 H new ATOM 0 HA GLU A 49 3.191 -3.751 0.138 1.00 73.53 H new ATOM 0 HB2 GLU A 49 4.647 -5.715 0.503 1.00 0.22 H new ATOM 0 HB3 GLU A 49 3.249 -6.771 0.545 1.00 0.22 H new ATOM 0 HG2 GLU A 49 2.765 -6.305 -1.811 1.00 1.31 H new ATOM 0 HG3 GLU A 49 4.054 -5.119 -1.878 1.00 1.31 H new ATOM 808 N VAL A 50 1.119 -4.235 -1.219 1.00 72.45 N ATOM 809 CA VAL A 50 -0.182 -4.304 -1.885 1.00 72.41 C ATOM 810 C VAL A 50 -0.030 -4.463 -3.405 1.00 42.13 C ATOM 811 O VAL A 50 0.676 -3.691 -4.054 1.00 21.23 O ATOM 812 CB VAL A 50 -1.041 -3.047 -1.576 1.00 52.24 C ATOM 813 CG1 VAL A 50 -0.296 -1.759 -1.942 1.00 40.04 C ATOM 814 CG2 VAL A 50 -2.386 -3.121 -2.299 1.00 32.12 C ATOM 0 H VAL A 50 1.822 -3.700 -1.730 1.00 72.45 H new ATOM 0 HA VAL A 50 -0.691 -5.184 -1.492 1.00 72.41 H new ATOM 0 HB VAL A 50 -1.229 -3.027 -0.502 1.00 52.24 H new ATOM 0 HG11 VAL A 50 -0.924 -0.898 -1.714 1.00 40.04 H new ATOM 0 HG12 VAL A 50 0.628 -1.697 -1.367 1.00 40.04 H new ATOM 0 HG13 VAL A 50 -0.061 -1.765 -3.006 1.00 40.04 H new ATOM 0 HG21 VAL A 50 -2.972 -2.231 -2.069 1.00 32.12 H new ATOM 0 HG22 VAL A 50 -2.218 -3.177 -3.375 1.00 32.12 H new ATOM 0 HG23 VAL A 50 -2.928 -4.007 -1.969 1.00 32.12 H new ATOM 824 N GLU A 51 -0.684 -5.474 -3.968 1.00 0.53 N ATOM 825 CA GLU A 51 -0.679 -5.676 -5.418 1.00 33.31 C ATOM 826 C GLU A 51 -1.776 -4.848 -6.098 1.00 5.14 C ATOM 827 O GLU A 51 -2.959 -5.193 -6.044 1.00 44.10 O ATOM 828 CB GLU A 51 -0.845 -7.162 -5.763 1.00 10.45 C ATOM 829 CG GLU A 51 -0.999 -7.427 -7.260 1.00 22.32 C ATOM 830 CD GLU A 51 -0.941 -8.902 -7.617 1.00 5.23 C ATOM 831 OE1 GLU A 51 -1.760 -9.684 -7.090 1.00 61.14 O ATOM 832 OE2 GLU A 51 -0.067 -9.289 -8.419 1.00 63.33 O ATOM 0 H GLU A 51 -1.223 -6.165 -3.447 1.00 0.53 H new ATOM 0 HA GLU A 51 0.286 -5.337 -5.794 1.00 33.31 H new ATOM 0 HB2 GLU A 51 0.020 -7.712 -5.392 1.00 10.45 H new ATOM 0 HB3 GLU A 51 -1.719 -7.553 -5.241 1.00 10.45 H new ATOM 0 HG2 GLU A 51 -1.950 -7.015 -7.599 1.00 22.32 H new ATOM 0 HG3 GLU A 51 -0.212 -6.899 -7.799 1.00 22.32 H new ATOM 839 N VAL A 52 -1.376 -3.744 -6.721 1.00 30.32 N ATOM 840 CA VAL A 52 -2.306 -2.868 -7.435 1.00 2.02 C ATOM 841 C VAL A 52 -2.260 -3.123 -8.948 1.00 70.21 C ATOM 842 O VAL A 52 -1.236 -2.895 -9.594 1.00 30.23 O ATOM 843 CB VAL A 52 -1.987 -1.380 -7.153 1.00 15.30 C ATOM 844 CG1 VAL A 52 -3.009 -0.463 -7.822 1.00 34.03 C ATOM 845 CG2 VAL A 52 -1.930 -1.127 -5.650 1.00 34.32 C ATOM 0 H VAL A 52 -0.406 -3.431 -6.747 1.00 30.32 H new ATOM 0 HA VAL A 52 -3.309 -3.094 -7.072 1.00 2.02 H new ATOM 0 HB VAL A 52 -1.010 -1.152 -7.579 1.00 15.30 H new ATOM 0 HG11 VAL A 52 -2.761 0.576 -7.607 1.00 34.03 H new ATOM 0 HG12 VAL A 52 -2.993 -0.625 -8.900 1.00 34.03 H new ATOM 0 HG13 VAL A 52 -4.004 -0.685 -7.437 1.00 34.03 H new ATOM 0 HG21 VAL A 52 -1.705 -0.076 -5.466 1.00 34.32 H new ATOM 0 HG22 VAL A 52 -2.892 -1.376 -5.202 1.00 34.32 H new ATOM 0 HG23 VAL A 52 -1.152 -1.748 -5.206 1.00 34.32 H new ATOM 855 N ASP A 53 -3.367 -3.630 -9.499 1.00 34.53 N ATOM 856 CA ASP A 53 -3.484 -3.882 -10.944 1.00 13.21 C ATOM 857 C ASP A 53 -2.473 -4.956 -11.423 1.00 62.13 C ATOM 858 O ASP A 53 -2.258 -5.141 -12.622 1.00 30.10 O ATOM 859 CB ASP A 53 -3.291 -2.558 -11.710 1.00 32.05 C ATOM 860 CG ASP A 53 -3.643 -2.663 -13.183 1.00 22.13 C ATOM 861 OD1 ASP A 53 -4.840 -2.758 -13.505 1.00 24.25 O ATOM 862 OD2 ASP A 53 -2.721 -2.646 -14.030 1.00 74.15 O ATOM 0 H ASP A 53 -4.201 -3.876 -8.965 1.00 34.53 H new ATOM 0 HA ASP A 53 -4.480 -4.274 -11.149 1.00 13.21 H new ATOM 0 HB2 ASP A 53 -3.908 -1.786 -11.250 1.00 32.05 H new ATOM 0 HB3 ASP A 53 -2.254 -2.237 -11.613 1.00 32.05 H new ATOM 867 N GLY A 54 -1.881 -5.685 -10.474 1.00 24.25 N ATOM 868 CA GLY A 54 -0.874 -6.698 -10.805 1.00 15.14 C ATOM 869 C GLY A 54 0.550 -6.278 -10.435 1.00 62.32 C ATOM 870 O GLY A 54 1.505 -7.021 -10.673 1.00 14.23 O ATOM 0 H GLY A 54 -2.079 -5.595 -9.477 1.00 24.25 H new ATOM 0 HA2 GLY A 54 -1.118 -7.626 -10.287 1.00 15.14 H new ATOM 0 HA3 GLY A 54 -0.917 -6.908 -11.874 1.00 15.14 H new ATOM 874 N GLN A 55 0.689 -5.085 -9.854 1.00 53.11 N ATOM 875 CA GLN A 55 1.997 -4.549 -9.449 1.00 44.43 C ATOM 876 C GLN A 55 2.111 -4.460 -7.914 1.00 64.02 C ATOM 877 O GLN A 55 1.313 -3.785 -7.269 1.00 33.01 O ATOM 878 CB GLN A 55 2.189 -3.156 -10.070 1.00 2.22 C ATOM 879 CG GLN A 55 2.073 -3.143 -11.592 1.00 40.41 C ATOM 880 CD GLN A 55 1.892 -1.744 -12.164 1.00 21.14 C ATOM 881 OE1 GLN A 55 0.651 -1.314 -12.277 1.00 0.33 O flip ATOM 882 NE2 GLN A 55 2.852 -1.056 -12.502 1.00 64.13 N flip ATOM 0 H GLN A 55 -0.094 -4.464 -9.650 1.00 53.11 H new ATOM 0 HA GLN A 55 2.775 -5.224 -9.805 1.00 44.43 H new ATOM 0 HB2 GLN A 55 1.447 -2.476 -9.652 1.00 2.22 H new ATOM 0 HB3 GLN A 55 3.169 -2.773 -9.786 1.00 2.22 H new ATOM 0 HG2 GLN A 55 2.968 -3.592 -12.023 1.00 40.41 H new ATOM 0 HG3 GLN A 55 1.229 -3.764 -11.892 1.00 40.41 H new ATOM 0 HE21 GLN A 55 3.800 -1.419 -12.401 1.00 64.13 H new ATOM 0 HE22 GLN A 55 2.701 -0.122 -12.883 1.00 64.13 H new ATOM 891 N LYS A 56 3.096 -5.151 -7.331 1.00 55.44 N ATOM 892 CA LYS A 56 3.298 -5.119 -5.871 1.00 41.32 C ATOM 893 C LYS A 56 4.048 -3.851 -5.416 1.00 63.04 C ATOM 894 O LYS A 56 5.185 -3.604 -5.826 1.00 61.21 O ATOM 895 CB LYS A 56 4.075 -6.356 -5.383 1.00 24.12 C ATOM 896 CG LYS A 56 3.259 -7.649 -5.300 1.00 74.21 C ATOM 897 CD LYS A 56 3.042 -8.302 -6.661 1.00 2.13 C ATOM 898 CE LYS A 56 2.473 -9.715 -6.519 1.00 55.51 C ATOM 899 NZ LYS A 56 2.370 -10.417 -7.827 1.00 34.04 N ATOM 0 H LYS A 56 3.762 -5.735 -7.838 1.00 55.44 H new ATOM 0 HA LYS A 56 2.301 -5.116 -5.429 1.00 41.32 H new ATOM 0 HB2 LYS A 56 4.920 -6.521 -6.051 1.00 24.12 H new ATOM 0 HB3 LYS A 56 4.486 -6.141 -4.397 1.00 24.12 H new ATOM 0 HG2 LYS A 56 3.769 -8.353 -4.642 1.00 74.21 H new ATOM 0 HG3 LYS A 56 2.291 -7.433 -4.848 1.00 74.21 H new ATOM 0 HD2 LYS A 56 2.361 -7.692 -7.254 1.00 2.13 H new ATOM 0 HD3 LYS A 56 3.988 -8.342 -7.202 1.00 2.13 H new ATOM 0 HE2 LYS A 56 3.107 -10.294 -5.848 1.00 55.51 H new ATOM 0 HE3 LYS A 56 1.486 -9.662 -6.059 1.00 55.51 H new ATOM 0 HZ1 LYS A 56 2.363 -11.445 -7.670 1.00 34.04 H new ATOM 0 HZ2 LYS A 56 1.491 -10.134 -8.305 1.00 34.04 H new ATOM 0 HZ3 LYS A 56 3.184 -10.163 -8.422 1.00 34.04 H new ATOM 913 N PHE A 57 3.416 -3.070 -4.539 1.00 21.54 N ATOM 914 CA PHE A 57 4.038 -1.868 -3.953 1.00 32.40 C ATOM 915 C PHE A 57 4.188 -2.017 -2.430 1.00 75.40 C ATOM 916 O PHE A 57 3.341 -2.621 -1.778 1.00 63.23 O ATOM 917 CB PHE A 57 3.195 -0.626 -4.268 1.00 62.25 C ATOM 918 CG PHE A 57 3.006 -0.381 -5.743 1.00 11.11 C ATOM 919 CD1 PHE A 57 3.980 0.274 -6.485 1.00 51.13 C ATOM 920 CD2 PHE A 57 1.854 -0.807 -6.389 1.00 63.33 C ATOM 921 CE1 PHE A 57 3.805 0.499 -7.836 1.00 12.32 C ATOM 922 CE2 PHE A 57 1.675 -0.582 -7.740 1.00 63.02 C ATOM 923 CZ PHE A 57 2.652 0.072 -8.464 1.00 31.32 C ATOM 0 H PHE A 57 2.466 -3.245 -4.213 1.00 21.54 H new ATOM 0 HA PHE A 57 5.029 -1.752 -4.393 1.00 32.40 H new ATOM 0 HB2 PHE A 57 2.217 -0.732 -3.798 1.00 62.25 H new ATOM 0 HB3 PHE A 57 3.670 0.248 -3.821 1.00 62.25 H new ATOM 0 HD1 PHE A 57 4.884 0.611 -6.000 1.00 51.13 H new ATOM 0 HD2 PHE A 57 1.088 -1.321 -5.828 1.00 63.33 H new ATOM 0 HE1 PHE A 57 4.570 1.009 -8.402 1.00 12.32 H new ATOM 0 HE2 PHE A 57 0.772 -0.917 -8.229 1.00 63.02 H new ATOM 0 HZ PHE A 57 2.514 0.249 -9.520 1.00 31.32 H new ATOM 933 N GLN A 58 5.262 -1.465 -1.870 1.00 22.54 N ATOM 934 CA GLN A 58 5.534 -1.583 -0.428 1.00 2.01 C ATOM 935 C GLN A 58 5.574 -0.220 0.285 1.00 64.54 C ATOM 936 O GLN A 58 5.835 0.819 -0.326 1.00 61.33 O ATOM 937 CB GLN A 58 6.862 -2.314 -0.196 1.00 74.42 C ATOM 938 CG GLN A 58 6.783 -3.826 -0.364 1.00 61.44 C ATOM 939 CD GLN A 58 8.140 -4.495 -0.237 1.00 12.24 C ATOM 940 OE1 GLN A 58 9.031 -4.000 0.448 1.00 75.44 O ATOM 941 NE2 GLN A 58 8.308 -5.626 -0.887 1.00 74.44 N ATOM 0 H GLN A 58 5.961 -0.931 -2.387 1.00 22.54 H new ATOM 0 HA GLN A 58 4.709 -2.154 -0.002 1.00 2.01 H new ATOM 0 HB2 GLN A 58 7.605 -1.921 -0.890 1.00 74.42 H new ATOM 0 HB3 GLN A 58 7.216 -2.090 0.810 1.00 74.42 H new ATOM 0 HG2 GLN A 58 6.107 -4.237 0.386 1.00 61.44 H new ATOM 0 HG3 GLN A 58 6.356 -4.058 -1.340 1.00 61.44 H new ATOM 0 HE21 GLN A 58 7.547 -6.010 -1.447 1.00 74.44 H new ATOM 0 HE22 GLN A 58 9.199 -6.119 -0.831 1.00 74.44 H new ATOM 950 N GLY A 59 5.320 -0.251 1.593 1.00 21.22 N ATOM 951 CA GLY A 59 5.395 0.945 2.425 1.00 1.31 C ATOM 952 C GLY A 59 5.686 0.612 3.887 1.00 13.01 C ATOM 953 O GLY A 59 5.135 -0.346 4.429 1.00 53.44 O ATOM 0 H GLY A 59 5.059 -1.097 2.099 1.00 21.22 H new ATOM 0 HA2 GLY A 59 6.174 1.604 2.042 1.00 1.31 H new ATOM 0 HA3 GLY A 59 4.454 1.492 2.359 1.00 1.31 H new ATOM 957 N ALA A 60 6.547 1.400 4.529 1.00 43.11 N ATOM 958 CA ALA A 60 6.960 1.132 5.916 1.00 35.22 C ATOM 959 C ALA A 60 6.517 2.248 6.874 1.00 43.12 C ATOM 960 O ALA A 60 6.774 3.428 6.632 1.00 2.34 O ATOM 961 CB ALA A 60 8.474 0.950 5.984 1.00 34.01 C ATOM 0 H ALA A 60 6.975 2.229 4.116 1.00 43.11 H new ATOM 0 HA ALA A 60 6.468 0.213 6.235 1.00 35.22 H new ATOM 0 HB1 ALA A 60 8.771 0.752 7.014 1.00 34.01 H new ATOM 0 HB2 ALA A 60 8.768 0.111 5.354 1.00 34.01 H new ATOM 0 HB3 ALA A 60 8.966 1.857 5.633 1.00 34.01 H new ATOM 967 N GLY A 61 5.867 1.868 7.975 1.00 12.11 N ATOM 968 CA GLY A 61 5.384 2.848 8.946 1.00 54.31 C ATOM 969 C GLY A 61 5.483 2.368 10.393 1.00 23.13 C ATOM 970 O GLY A 61 5.791 1.203 10.652 1.00 71.11 O ATOM 0 H GLY A 61 5.665 0.897 8.215 1.00 12.11 H new ATOM 0 HA2 GLY A 61 5.956 3.769 8.837 1.00 54.31 H new ATOM 0 HA3 GLY A 61 4.345 3.089 8.721 1.00 54.31 H new ATOM 974 N SER A 62 5.211 3.274 11.335 1.00 61.41 N ATOM 975 CA SER A 62 5.266 2.958 12.775 1.00 25.55 C ATOM 976 C SER A 62 4.156 1.979 13.188 1.00 41.24 C ATOM 977 O SER A 62 4.306 1.210 14.143 1.00 61.54 O ATOM 978 CB SER A 62 5.150 4.242 13.604 1.00 13.33 C ATOM 979 OG SER A 62 3.956 4.950 13.293 1.00 72.03 O ATOM 0 H SER A 62 4.949 4.238 11.131 1.00 61.41 H new ATOM 0 HA SER A 62 6.227 2.481 12.967 1.00 25.55 H new ATOM 0 HB2 SER A 62 5.163 3.995 14.666 1.00 13.33 H new ATOM 0 HB3 SER A 62 6.014 4.879 13.414 1.00 13.33 H new ATOM 0 HG SER A 62 3.907 5.764 13.837 1.00 72.03 H new ATOM 985 N ASN A 63 3.028 2.040 12.487 1.00 11.22 N ATOM 986 CA ASN A 63 1.935 1.078 12.669 1.00 44.53 C ATOM 987 C ASN A 63 1.431 0.589 11.303 1.00 64.42 C ATOM 988 O ASN A 63 1.684 1.226 10.279 1.00 75.40 O ATOM 989 CB ASN A 63 0.788 1.704 13.479 1.00 42.52 C ATOM 990 CG ASN A 63 0.137 2.880 12.776 1.00 61.34 C ATOM 991 OD1 ASN A 63 0.757 3.551 11.969 1.00 73.31 O ATOM 992 ND2 ASN A 63 -1.118 3.141 13.083 1.00 14.14 N ATOM 0 H ASN A 63 2.842 2.751 11.780 1.00 11.22 H new ATOM 0 HA ASN A 63 2.314 0.222 13.228 1.00 44.53 H new ATOM 0 HB2 ASN A 63 0.033 0.943 13.677 1.00 42.52 H new ATOM 0 HB3 ASN A 63 1.170 2.032 14.446 1.00 42.52 H new ATOM 0 HD21 ASN A 63 -1.599 3.924 12.641 1.00 14.14 H new ATOM 0 HD22 ASN A 63 -1.608 2.560 13.763 1.00 14.14 H new ATOM 999 N LYS A 64 0.714 -0.531 11.284 1.00 74.43 N ATOM 1000 CA LYS A 64 0.246 -1.122 10.023 1.00 64.45 C ATOM 1001 C LYS A 64 -0.677 -0.164 9.253 1.00 32.53 C ATOM 1002 O LYS A 64 -0.697 -0.167 8.024 1.00 32.33 O ATOM 1003 CB LYS A 64 -0.478 -2.449 10.284 1.00 5.34 C ATOM 1004 CG LYS A 64 0.393 -3.514 10.945 1.00 11.54 C ATOM 1005 CD LYS A 64 -0.374 -4.814 11.169 1.00 25.20 C ATOM 1006 CE LYS A 64 -0.823 -5.446 9.854 1.00 61.12 C ATOM 1007 NZ LYS A 64 -1.625 -6.680 10.073 1.00 14.02 N ATOM 0 H LYS A 64 0.443 -1.049 12.120 1.00 74.43 H new ATOM 0 HA LYS A 64 1.126 -1.309 9.407 1.00 64.45 H new ATOM 0 HB2 LYS A 64 -1.345 -2.259 10.917 1.00 5.34 H new ATOM 0 HB3 LYS A 64 -0.854 -2.838 9.338 1.00 5.34 H new ATOM 0 HG2 LYS A 64 1.265 -3.709 10.321 1.00 11.54 H new ATOM 0 HG3 LYS A 64 0.762 -3.140 11.900 1.00 11.54 H new ATOM 0 HD2 LYS A 64 0.256 -5.518 11.713 1.00 25.20 H new ATOM 0 HD3 LYS A 64 -1.246 -4.618 11.793 1.00 25.20 H new ATOM 0 HE2 LYS A 64 -1.414 -4.725 9.289 1.00 61.12 H new ATOM 0 HE3 LYS A 64 0.052 -5.685 9.249 1.00 61.12 H new ATOM 0 HZ1 LYS A 64 -1.909 -7.077 9.155 1.00 14.02 H new ATOM 0 HZ2 LYS A 64 -1.053 -7.378 10.590 1.00 14.02 H new ATOM 0 HZ3 LYS A 64 -2.474 -6.449 10.628 1.00 14.02 H new ATOM 1021 N LYS A 65 -1.437 0.656 9.979 1.00 1.42 N ATOM 1022 CA LYS A 65 -2.337 1.638 9.356 1.00 64.13 C ATOM 1023 C LYS A 65 -1.553 2.652 8.500 1.00 2.25 C ATOM 1024 O LYS A 65 -1.822 2.811 7.305 1.00 11.13 O ATOM 1025 CB LYS A 65 -3.155 2.377 10.429 1.00 75.44 C ATOM 1026 CG LYS A 65 -3.969 1.455 11.337 1.00 22.10 C ATOM 1027 CD LYS A 65 -4.976 0.605 10.560 1.00 75.10 C ATOM 1028 CE LYS A 65 -6.033 1.456 9.863 1.00 44.30 C ATOM 1029 NZ LYS A 65 -7.050 0.619 9.174 1.00 2.00 N ATOM 0 H LYS A 65 -1.450 0.663 10.999 1.00 1.42 H new ATOM 0 HA LYS A 65 -3.018 1.094 8.702 1.00 64.13 H new ATOM 0 HB2 LYS A 65 -2.477 2.969 11.044 1.00 75.44 H new ATOM 0 HB3 LYS A 65 -3.832 3.076 9.938 1.00 75.44 H new ATOM 0 HG2 LYS A 65 -3.292 0.800 11.885 1.00 22.10 H new ATOM 0 HG3 LYS A 65 -4.499 2.055 12.077 1.00 22.10 H new ATOM 0 HD2 LYS A 65 -4.447 0.006 9.818 1.00 75.10 H new ATOM 0 HD3 LYS A 65 -5.464 -0.091 11.242 1.00 75.10 H new ATOM 0 HE2 LYS A 65 -6.525 2.096 10.595 1.00 44.30 H new ATOM 0 HE3 LYS A 65 -5.551 2.112 9.138 1.00 44.30 H new ATOM 0 HZ1 LYS A 65 -7.751 1.234 8.713 1.00 2.00 H new ATOM 0 HZ2 LYS A 65 -6.584 0.026 8.458 1.00 2.00 H new ATOM 0 HZ3 LYS A 65 -7.528 0.011 9.869 1.00 2.00 H new ATOM 1043 N VAL A 66 -0.579 3.327 9.113 1.00 72.34 N ATOM 1044 CA VAL A 66 0.260 4.295 8.395 1.00 0.10 C ATOM 1045 C VAL A 66 1.190 3.591 7.383 1.00 45.12 C ATOM 1046 O VAL A 66 1.513 4.146 6.331 1.00 42.25 O ATOM 1047 CB VAL A 66 1.090 5.159 9.385 1.00 1.54 C ATOM 1048 CG1 VAL A 66 2.074 6.065 8.651 1.00 72.22 C ATOM 1049 CG2 VAL A 66 0.163 5.988 10.273 1.00 63.51 C ATOM 0 H VAL A 66 -0.350 3.224 10.102 1.00 72.34 H new ATOM 0 HA VAL A 66 -0.407 4.955 7.840 1.00 0.10 H new ATOM 0 HB VAL A 66 1.669 4.481 10.012 1.00 1.54 H new ATOM 0 HG11 VAL A 66 2.636 6.654 9.376 1.00 72.22 H new ATOM 0 HG12 VAL A 66 2.763 5.456 8.066 1.00 72.22 H new ATOM 0 HG13 VAL A 66 1.527 6.734 7.987 1.00 72.22 H new ATOM 0 HG21 VAL A 66 0.759 6.588 10.961 1.00 63.51 H new ATOM 0 HG22 VAL A 66 -0.445 6.645 9.651 1.00 63.51 H new ATOM 0 HG23 VAL A 66 -0.487 5.323 10.841 1.00 63.51 H new ATOM 1059 N ALA A 67 1.600 2.361 7.693 1.00 71.32 N ATOM 1060 CA ALA A 67 2.394 1.551 6.757 1.00 23.34 C ATOM 1061 C ALA A 67 1.606 1.270 5.465 1.00 71.13 C ATOM 1062 O ALA A 67 2.128 1.419 4.357 1.00 40.52 O ATOM 1063 CB ALA A 67 2.823 0.247 7.419 1.00 33.41 C ATOM 0 H ALA A 67 1.398 1.901 8.581 1.00 71.32 H new ATOM 0 HA ALA A 67 3.287 2.116 6.489 1.00 23.34 H new ATOM 0 HB1 ALA A 67 3.410 -0.343 6.715 1.00 33.41 H new ATOM 0 HB2 ALA A 67 3.427 0.467 8.299 1.00 33.41 H new ATOM 0 HB3 ALA A 67 1.940 -0.318 7.717 1.00 33.41 H new ATOM 1069 N LYS A 68 0.340 0.871 5.619 1.00 2.10 N ATOM 1070 CA LYS A 68 -0.568 0.699 4.478 1.00 53.12 C ATOM 1071 C LYS A 68 -0.735 2.020 3.716 1.00 33.10 C ATOM 1072 O LYS A 68 -0.893 2.028 2.494 1.00 13.41 O ATOM 1073 CB LYS A 68 -1.945 0.194 4.943 1.00 11.44 C ATOM 1074 CG LYS A 68 -1.952 -1.256 5.424 1.00 44.24 C ATOM 1075 CD LYS A 68 -3.319 -1.670 5.973 1.00 44.03 C ATOM 1076 CE LYS A 68 -4.426 -1.532 4.929 1.00 52.10 C ATOM 1077 NZ LYS A 68 -5.751 -1.944 5.464 1.00 73.45 N ATOM 0 H LYS A 68 -0.081 0.660 6.524 1.00 2.10 H new ATOM 0 HA LYS A 68 -0.128 -0.044 3.812 1.00 53.12 H new ATOM 0 HB2 LYS A 68 -2.300 0.834 5.750 1.00 11.44 H new ATOM 0 HB3 LYS A 68 -2.653 0.295 4.121 1.00 11.44 H new ATOM 0 HG2 LYS A 68 -1.678 -1.913 4.599 1.00 44.24 H new ATOM 0 HG3 LYS A 68 -1.196 -1.385 6.198 1.00 44.24 H new ATOM 0 HD2 LYS A 68 -3.273 -2.703 6.317 1.00 44.03 H new ATOM 0 HD3 LYS A 68 -3.561 -1.056 6.840 1.00 44.03 H new ATOM 0 HE2 LYS A 68 -4.478 -0.497 4.590 1.00 52.10 H new ATOM 0 HE3 LYS A 68 -4.181 -2.141 4.059 1.00 52.10 H new ATOM 0 HZ1 LYS A 68 -6.473 -1.835 4.724 1.00 73.45 H new ATOM 0 HZ2 LYS A 68 -5.710 -2.939 5.764 1.00 73.45 H new ATOM 0 HZ3 LYS A 68 -5.997 -1.347 6.279 1.00 73.45 H new ATOM 1091 N ALA A 69 -0.713 3.131 4.452 1.00 13.02 N ATOM 1092 CA ALA A 69 -0.779 4.465 3.845 1.00 44.14 C ATOM 1093 C ALA A 69 0.396 4.709 2.885 1.00 24.24 C ATOM 1094 O ALA A 69 0.197 5.120 1.740 1.00 43.35 O ATOM 1095 CB ALA A 69 -0.819 5.539 4.928 1.00 4.20 C ATOM 0 H ALA A 69 -0.650 3.136 5.470 1.00 13.02 H new ATOM 0 HA ALA A 69 -1.697 4.520 3.260 1.00 44.14 H new ATOM 0 HB1 ALA A 69 -0.868 6.523 4.463 1.00 4.20 H new ATOM 0 HB2 ALA A 69 -1.698 5.390 5.556 1.00 4.20 H new ATOM 0 HB3 ALA A 69 0.080 5.472 5.541 1.00 4.20 H new ATOM 1101 N TYR A 70 1.617 4.443 3.350 1.00 61.44 N ATOM 1102 CA TYR A 70 2.812 4.589 2.504 1.00 70.10 C ATOM 1103 C TYR A 70 2.791 3.612 1.316 1.00 33.24 C ATOM 1104 O TYR A 70 3.207 3.961 0.211 1.00 51.23 O ATOM 1105 CB TYR A 70 4.095 4.381 3.322 1.00 24.41 C ATOM 1106 CG TYR A 70 4.370 5.477 4.335 1.00 35.12 C ATOM 1107 CD1 TYR A 70 4.557 6.795 3.928 1.00 51.04 C ATOM 1108 CD2 TYR A 70 4.442 5.195 5.695 1.00 31.01 C ATOM 1109 CE1 TYR A 70 4.812 7.795 4.847 1.00 63.22 C ATOM 1110 CE2 TYR A 70 4.697 6.191 6.615 1.00 63.14 C ATOM 1111 CZ TYR A 70 4.877 7.488 6.188 1.00 74.21 C ATOM 1112 OH TYR A 70 5.130 8.478 7.107 1.00 2.22 O ATOM 0 H TYR A 70 1.809 4.127 4.301 1.00 61.44 H new ATOM 0 HA TYR A 70 2.801 5.606 2.112 1.00 70.10 H new ATOM 0 HB2 TYR A 70 4.029 3.427 3.845 1.00 24.41 H new ATOM 0 HB3 TYR A 70 4.941 4.312 2.639 1.00 24.41 H new ATOM 0 HD1 TYR A 70 4.502 7.040 2.878 1.00 51.04 H new ATOM 0 HD2 TYR A 70 4.296 4.181 6.036 1.00 31.01 H new ATOM 0 HE1 TYR A 70 4.960 8.812 4.515 1.00 63.22 H new ATOM 0 HE2 TYR A 70 4.755 5.954 7.667 1.00 63.14 H new ATOM 0 HH TYR A 70 5.141 8.093 8.008 1.00 2.22 H new ATOM 1122 N ALA A 71 2.315 2.390 1.553 1.00 43.31 N ATOM 1123 CA ALA A 71 2.201 1.383 0.490 1.00 71.21 C ATOM 1124 C ALA A 71 1.230 1.841 -0.608 1.00 41.31 C ATOM 1125 O ALA A 71 1.539 1.777 -1.800 1.00 31.30 O ATOM 1126 CB ALA A 71 1.755 0.046 1.076 1.00 24.45 C ATOM 0 H ALA A 71 2.002 2.070 2.470 1.00 43.31 H new ATOM 0 HA ALA A 71 3.183 1.258 0.035 1.00 71.21 H new ATOM 0 HB1 ALA A 71 1.674 -0.692 0.278 1.00 24.45 H new ATOM 0 HB2 ALA A 71 2.487 -0.292 1.810 1.00 24.45 H new ATOM 0 HB3 ALA A 71 0.785 0.166 1.559 1.00 24.45 H new ATOM 1132 N ALA A 72 0.060 2.318 -0.191 1.00 63.25 N ATOM 1133 CA ALA A 72 -0.947 2.832 -1.119 1.00 41.51 C ATOM 1134 C ALA A 72 -0.435 4.074 -1.870 1.00 25.04 C ATOM 1135 O ALA A 72 -0.611 4.196 -3.082 1.00 62.54 O ATOM 1136 CB ALA A 72 -2.235 3.146 -0.369 1.00 11.10 C ATOM 0 H ALA A 72 -0.216 2.360 0.790 1.00 63.25 H new ATOM 0 HA ALA A 72 -1.151 2.062 -1.863 1.00 41.51 H new ATOM 0 HB1 ALA A 72 -2.979 3.528 -1.068 1.00 11.10 H new ATOM 0 HB2 ALA A 72 -2.612 2.238 0.102 1.00 11.10 H new ATOM 0 HB3 ALA A 72 -2.037 3.897 0.396 1.00 11.10 H new ATOM 1142 N LEU A 73 0.208 4.987 -1.141 1.00 32.13 N ATOM 1143 CA LEU A 73 0.835 6.168 -1.749 1.00 4.40 C ATOM 1144 C LEU A 73 1.914 5.768 -2.769 1.00 42.11 C ATOM 1145 O LEU A 73 2.036 6.385 -3.829 1.00 2.31 O ATOM 1146 CB LEU A 73 1.437 7.072 -0.661 1.00 21.12 C ATOM 1147 CG LEU A 73 0.521 8.202 -0.168 1.00 43.03 C ATOM 1148 CD1 LEU A 73 1.173 8.966 0.981 1.00 45.22 C ATOM 1149 CD2 LEU A 73 0.179 9.152 -1.317 1.00 33.32 C ATOM 0 H LEU A 73 0.310 4.934 -0.128 1.00 32.13 H new ATOM 0 HA LEU A 73 0.061 6.721 -2.281 1.00 4.40 H new ATOM 0 HB2 LEU A 73 1.713 6.452 0.192 1.00 21.12 H new ATOM 0 HB3 LEU A 73 2.356 7.513 -1.046 1.00 21.12 H new ATOM 0 HG LEU A 73 -0.403 7.756 0.201 1.00 43.03 H new ATOM 0 HD11 LEU A 73 0.506 9.761 1.314 1.00 45.22 H new ATOM 0 HD12 LEU A 73 1.365 8.284 1.809 1.00 45.22 H new ATOM 0 HD13 LEU A 73 2.114 9.399 0.642 1.00 45.22 H new ATOM 0 HD21 LEU A 73 -0.471 9.947 -0.951 1.00 33.32 H new ATOM 0 HD22 LEU A 73 1.096 9.587 -1.715 1.00 33.32 H new ATOM 0 HD23 LEU A 73 -0.332 8.600 -2.106 1.00 33.32 H new ATOM 1161 N ALA A 74 2.686 4.727 -2.444 1.00 1.30 N ATOM 1162 CA ALA A 74 3.712 4.208 -3.354 1.00 4.25 C ATOM 1163 C ALA A 74 3.090 3.751 -4.683 1.00 52.32 C ATOM 1164 O ALA A 74 3.724 3.818 -5.737 1.00 20.30 O ATOM 1165 CB ALA A 74 4.472 3.057 -2.699 1.00 54.33 C ATOM 0 H ALA A 74 2.620 4.227 -1.558 1.00 1.30 H new ATOM 0 HA ALA A 74 4.414 5.014 -3.568 1.00 4.25 H new ATOM 0 HB1 ALA A 74 5.230 2.683 -3.387 1.00 54.33 H new ATOM 0 HB2 ALA A 74 4.953 3.411 -1.787 1.00 54.33 H new ATOM 0 HB3 ALA A 74 3.776 2.254 -2.454 1.00 54.33 H new ATOM 1171 N ALA A 75 1.847 3.278 -4.617 1.00 21.11 N ATOM 1172 CA ALA A 75 1.095 2.886 -5.812 1.00 53.51 C ATOM 1173 C ALA A 75 0.524 4.109 -6.545 1.00 43.41 C ATOM 1174 O ALA A 75 0.667 4.240 -7.761 1.00 1.35 O ATOM 1175 CB ALA A 75 -0.027 1.931 -5.427 1.00 22.41 C ATOM 0 H ALA A 75 1.335 3.156 -3.743 1.00 21.11 H new ATOM 0 HA ALA A 75 1.781 2.383 -6.493 1.00 53.51 H new ATOM 0 HB1 ALA A 75 -0.582 1.643 -6.320 1.00 22.41 H new ATOM 0 HB2 ALA A 75 0.396 1.041 -4.961 1.00 22.41 H new ATOM 0 HB3 ALA A 75 -0.699 2.424 -4.725 1.00 22.41 H new ATOM 1181 N LEU A 76 -0.114 5.006 -5.793 1.00 2.24 N ATOM 1182 CA LEU A 76 -0.739 6.205 -6.363 1.00 74.04 C ATOM 1183 C LEU A 76 0.276 7.073 -7.122 1.00 13.11 C ATOM 1184 O LEU A 76 0.132 7.297 -8.317 1.00 33.21 O ATOM 1185 CB LEU A 76 -1.418 7.029 -5.254 1.00 64.52 C ATOM 1186 CG LEU A 76 -2.669 6.387 -4.627 1.00 42.12 C ATOM 1187 CD1 LEU A 76 -3.164 7.212 -3.440 1.00 52.30 C ATOM 1188 CD2 LEU A 76 -3.772 6.232 -5.674 1.00 22.23 C ATOM 0 H LEU A 76 -0.213 4.926 -4.781 1.00 2.24 H new ATOM 0 HA LEU A 76 -1.491 5.875 -7.079 1.00 74.04 H new ATOM 0 HB2 LEU A 76 -0.690 7.213 -4.464 1.00 64.52 H new ATOM 0 HB3 LEU A 76 -1.695 8.000 -5.664 1.00 64.52 H new ATOM 0 HG LEU A 76 -2.399 5.396 -4.262 1.00 42.12 H new ATOM 0 HD11 LEU A 76 -4.049 6.740 -3.012 1.00 52.30 H new ATOM 0 HD12 LEU A 76 -2.381 7.268 -2.684 1.00 52.30 H new ATOM 0 HD13 LEU A 76 -3.416 8.218 -3.776 1.00 52.30 H new ATOM 0 HD21 LEU A 76 -4.649 5.777 -5.214 1.00 22.23 H new ATOM 0 HD22 LEU A 76 -4.038 7.212 -6.070 1.00 22.23 H new ATOM 0 HD23 LEU A 76 -3.417 5.597 -6.485 1.00 22.23 H new ATOM 1200 N GLU A 77 1.322 7.522 -6.436 1.00 73.34 N ATOM 1201 CA GLU A 77 2.321 8.413 -7.044 1.00 2.24 C ATOM 1202 C GLU A 77 3.038 7.759 -8.240 1.00 64.03 C ATOM 1203 O GLU A 77 3.621 8.446 -9.081 1.00 73.52 O ATOM 1204 CB GLU A 77 3.341 8.855 -5.984 1.00 34.03 C ATOM 1205 CG GLU A 77 2.711 9.582 -4.799 1.00 3.00 C ATOM 1206 CD GLU A 77 1.929 10.821 -5.217 1.00 13.53 C ATOM 1207 OE1 GLU A 77 2.559 11.870 -5.478 1.00 24.32 O ATOM 1208 OE2 GLU A 77 0.683 10.756 -5.293 1.00 21.32 O ATOM 0 H GLU A 77 1.505 7.288 -5.460 1.00 73.34 H new ATOM 0 HA GLU A 77 1.792 9.285 -7.428 1.00 2.24 H new ATOM 0 HB2 GLU A 77 3.877 7.979 -5.619 1.00 34.03 H new ATOM 0 HB3 GLU A 77 4.078 9.508 -6.451 1.00 34.03 H new ATOM 0 HG2 GLU A 77 2.046 8.899 -4.271 1.00 3.00 H new ATOM 0 HG3 GLU A 77 3.494 9.871 -4.098 1.00 3.00 H new ATOM 1215 N LYS A 78 2.983 6.432 -8.314 1.00 51.21 N ATOM 1216 CA LYS A 78 3.610 5.684 -9.410 1.00 3.43 C ATOM 1217 C LYS A 78 2.619 5.461 -10.573 1.00 23.21 C ATOM 1218 O LYS A 78 3.000 5.487 -11.746 1.00 74.25 O ATOM 1219 CB LYS A 78 4.142 4.345 -8.862 1.00 3.13 C ATOM 1220 CG LYS A 78 5.029 3.545 -9.823 1.00 4.32 C ATOM 1221 CD LYS A 78 4.220 2.662 -10.772 1.00 54.45 C ATOM 1222 CE LYS A 78 5.117 1.798 -11.651 1.00 72.34 C ATOM 1223 NZ LYS A 78 5.956 0.856 -10.855 1.00 43.21 N ATOM 0 H LYS A 78 2.509 5.846 -7.626 1.00 51.21 H new ATOM 0 HA LYS A 78 4.442 6.263 -9.811 1.00 3.43 H new ATOM 0 HB2 LYS A 78 4.709 4.544 -7.952 1.00 3.13 H new ATOM 0 HB3 LYS A 78 3.292 3.725 -8.578 1.00 3.13 H new ATOM 0 HG2 LYS A 78 5.640 4.234 -10.406 1.00 4.32 H new ATOM 0 HG3 LYS A 78 5.713 2.922 -9.247 1.00 4.32 H new ATOM 0 HD2 LYS A 78 3.554 2.022 -10.193 1.00 54.45 H new ATOM 0 HD3 LYS A 78 3.590 3.289 -11.403 1.00 54.45 H new ATOM 0 HE2 LYS A 78 4.500 1.231 -12.348 1.00 72.34 H new ATOM 0 HE3 LYS A 78 5.764 2.441 -12.248 1.00 72.34 H new ATOM 0 HZ1 LYS A 78 6.351 0.128 -11.483 1.00 43.21 H new ATOM 0 HZ2 LYS A 78 6.731 1.380 -10.401 1.00 43.21 H new ATOM 0 HZ3 LYS A 78 5.371 0.403 -10.124 1.00 43.21 H new ATOM 1237 N LEU A 79 1.344 5.251 -10.247 1.00 74.43 N ATOM 1238 CA LEU A 79 0.315 4.970 -11.261 1.00 24.21 C ATOM 1239 C LEU A 79 -0.575 6.193 -11.542 1.00 62.34 C ATOM 1240 O LEU A 79 -0.744 6.598 -12.696 1.00 51.13 O ATOM 1241 CB LEU A 79 -0.556 3.786 -10.815 1.00 13.22 C ATOM 1242 CG LEU A 79 0.184 2.448 -10.657 1.00 41.32 C ATOM 1243 CD1 LEU A 79 -0.762 1.359 -10.163 1.00 53.33 C ATOM 1244 CD2 LEU A 79 0.835 2.040 -11.977 1.00 4.30 C ATOM 0 H LEU A 79 0.994 5.269 -9.289 1.00 74.43 H new ATOM 0 HA LEU A 79 0.834 4.720 -12.187 1.00 24.21 H new ATOM 0 HB2 LEU A 79 -1.023 4.038 -9.863 1.00 13.22 H new ATOM 0 HB3 LEU A 79 -1.360 3.654 -11.540 1.00 13.22 H new ATOM 0 HG LEU A 79 0.968 2.577 -9.911 1.00 41.32 H new ATOM 0 HD11 LEU A 79 -0.215 0.422 -10.059 1.00 53.33 H new ATOM 0 HD12 LEU A 79 -1.175 1.647 -9.196 1.00 53.33 H new ATOM 0 HD13 LEU A 79 -1.573 1.229 -10.880 1.00 53.33 H new ATOM 0 HD21 LEU A 79 1.355 1.091 -11.848 1.00 4.30 H new ATOM 0 HD22 LEU A 79 0.067 1.932 -12.743 1.00 4.30 H new ATOM 0 HD23 LEU A 79 1.548 2.806 -12.283 1.00 4.30 H new ATOM 1256 N PHE A 80 -1.142 6.775 -10.484 1.00 22.21 N ATOM 1257 CA PHE A 80 -2.066 7.917 -10.613 1.00 31.23 C ATOM 1258 C PHE A 80 -1.598 9.129 -9.775 1.00 13.23 C ATOM 1259 O PHE A 80 -2.290 9.544 -8.841 1.00 2.52 O ATOM 1260 CB PHE A 80 -3.481 7.510 -10.158 1.00 22.14 C ATOM 1261 CG PHE A 80 -3.852 6.080 -10.464 1.00 1.41 C ATOM 1262 CD1 PHE A 80 -4.332 5.715 -11.714 1.00 60.12 C ATOM 1263 CD2 PHE A 80 -3.729 5.098 -9.488 1.00 72.04 C ATOM 1264 CE1 PHE A 80 -4.679 4.405 -11.984 1.00 54.31 C ATOM 1265 CE2 PHE A 80 -4.074 3.788 -9.755 1.00 74.30 C ATOM 1266 CZ PHE A 80 -4.550 3.440 -11.003 1.00 24.15 C ATOM 0 H PHE A 80 -0.980 6.477 -9.522 1.00 22.21 H new ATOM 0 HA PHE A 80 -2.079 8.206 -11.664 1.00 31.23 H new ATOM 0 HB2 PHE A 80 -3.563 7.671 -9.083 1.00 22.14 H new ATOM 0 HB3 PHE A 80 -4.206 8.170 -10.635 1.00 22.14 H new ATOM 0 HD1 PHE A 80 -4.436 6.464 -12.485 1.00 60.12 H new ATOM 0 HD2 PHE A 80 -3.359 5.363 -8.509 1.00 72.04 H new ATOM 0 HE1 PHE A 80 -5.051 4.135 -12.961 1.00 54.31 H new ATOM 0 HE2 PHE A 80 -3.971 3.035 -8.987 1.00 74.30 H new ATOM 0 HZ PHE A 80 -4.821 2.416 -11.212 1.00 24.15 H new