USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0632 F(o=-1.4!,f=-0.063) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 1.04 (180deg=0.0571) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -39:sc= 1.06 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.8!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.294 K(o=-0.29,f=-6.8!) USER MOD Single : A 49 SER OG : rot 47:sc= 0.394 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 56 THR OG1 : rot -12:sc= 0.513 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 68 SER OG : rot 2:sc= 0.506 USER MOD Single : A 80 THR OG1 : rot -166:sc= 1.15 USER MOD Single : A 82 GLN : amide:sc= 1.73 K(o=1.7,f=-6.4!) USER MOD Single : A 85 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.613 -11.617 0.582 1.00 73.12 N ATOM 290 CA LEU A 18 -6.474 -10.774 0.985 1.00 33.25 C ATOM 291 C LEU A 18 -5.513 -11.496 1.950 1.00 61.10 C ATOM 292 O LEU A 18 -5.932 -12.327 2.759 1.00 4.33 O ATOM 293 CB LEU A 18 -6.987 -9.483 1.637 1.00 70.30 C ATOM 294 CG LEU A 18 -7.885 -8.614 0.742 1.00 4.24 C ATOM 295 CD1 LEU A 18 -8.353 -7.368 1.487 1.00 24.34 C ATOM 296 CD2 LEU A 18 -7.151 -8.234 -0.543 1.00 54.12 C ATOM 0 HA LEU A 18 -5.911 -10.542 0.081 1.00 33.25 H new ATOM 0 HB2 LEU A 18 -7.542 -9.745 2.538 1.00 70.30 H new ATOM 0 HB3 LEU A 18 -6.130 -8.888 1.953 1.00 70.30 H new ATOM 0 HG LEU A 18 -8.767 -9.196 0.475 1.00 4.24 H new ATOM 0 HD11 LEU A 18 -8.987 -6.769 0.833 1.00 24.34 H new ATOM 0 HD12 LEU A 18 -8.920 -7.663 2.370 1.00 24.34 H new ATOM 0 HD13 LEU A 18 -7.487 -6.779 1.791 1.00 24.34 H new ATOM 0 HD21 LEU A 18 -7.801 -7.619 -1.165 1.00 54.12 H new ATOM 0 HD22 LEU A 18 -6.250 -7.674 -0.295 1.00 54.12 H new ATOM 0 HD23 LEU A 18 -6.878 -9.138 -1.087 1.00 54.12 H new ATOM 308 N SER A 19 -4.226 -11.155 1.865 1.00 64.13 N ATOM 309 CA SER A 19 -3.190 -11.758 2.725 1.00 3.13 C ATOM 310 C SER A 19 -2.340 -10.681 3.416 1.00 71.21 C ATOM 311 O SER A 19 -2.354 -9.518 3.016 1.00 63.31 O ATOM 312 CB SER A 19 -2.276 -12.677 1.897 1.00 53.43 C ATOM 313 OG SER A 19 -3.008 -13.740 1.315 1.00 11.11 O ATOM 0 H SER A 19 -3.869 -10.462 1.208 1.00 64.13 H new ATOM 0 HA SER A 19 -3.698 -12.343 3.492 1.00 3.13 H new ATOM 0 HB2 SER A 19 -1.787 -12.098 1.114 1.00 53.43 H new ATOM 0 HB3 SER A 19 -1.489 -13.080 2.534 1.00 53.43 H new ATOM 0 HG SER A 19 -2.402 -14.307 0.793 1.00 11.11 H new ATOM 319 N LEU A 20 -1.605 -11.075 4.456 1.00 45.23 N ATOM 320 CA LEU A 20 -0.733 -10.147 5.190 1.00 72.14 C ATOM 321 C LEU A 20 0.497 -9.765 4.341 1.00 1.40 C ATOM 322 O LEU A 20 1.244 -10.635 3.879 1.00 65.33 O ATOM 323 CB LEU A 20 -0.306 -10.784 6.533 1.00 11.24 C ATOM 324 CG LEU A 20 0.350 -9.853 7.581 1.00 24.24 C ATOM 325 CD1 LEU A 20 1.803 -9.534 7.228 1.00 22.55 C ATOM 326 CD2 LEU A 20 -0.458 -8.568 7.742 1.00 24.04 C ATOM 0 H LEU A 20 -1.594 -12.031 4.812 1.00 45.23 H new ATOM 0 HA LEU A 20 -1.286 -9.231 5.399 1.00 72.14 H new ATOM 0 HB2 LEU A 20 -1.187 -11.236 6.988 1.00 11.24 H new ATOM 0 HB3 LEU A 20 0.392 -11.593 6.316 1.00 11.24 H new ATOM 0 HG LEU A 20 0.353 -10.385 8.532 1.00 24.24 H new ATOM 0 HD11 LEU A 20 2.227 -8.878 7.989 1.00 22.55 H new ATOM 0 HD12 LEU A 20 2.378 -10.459 7.185 1.00 22.55 H new ATOM 0 HD13 LEU A 20 1.841 -9.037 6.258 1.00 22.55 H new ATOM 0 HD21 LEU A 20 0.020 -7.928 8.483 1.00 24.04 H new ATOM 0 HD22 LEU A 20 -0.504 -8.045 6.787 1.00 24.04 H new ATOM 0 HD23 LEU A 20 -1.468 -8.812 8.071 1.00 24.04 H new ATOM 338 N LEU A 21 0.704 -8.460 4.149 1.00 43.02 N ATOM 339 CA LEU A 21 1.800 -7.952 3.313 1.00 34.34 C ATOM 340 C LEU A 21 3.185 -8.324 3.879 1.00 31.35 C ATOM 341 O LEU A 21 3.526 -7.976 5.009 1.00 65.51 O ATOM 342 CB LEU A 21 1.685 -6.425 3.165 1.00 43.34 C ATOM 343 CG LEU A 21 2.784 -5.748 2.322 1.00 52.40 C ATOM 344 CD1 LEU A 21 2.829 -6.324 0.908 1.00 55.30 C ATOM 345 CD2 LEU A 21 2.575 -4.235 2.281 1.00 61.45 C ATOM 0 H LEU A 21 0.124 -7.730 4.563 1.00 43.02 H new ATOM 0 HA LEU A 21 1.710 -8.424 2.335 1.00 34.34 H new ATOM 0 HB2 LEU A 21 0.717 -6.194 2.719 1.00 43.34 H new ATOM 0 HB3 LEU A 21 1.692 -5.981 4.160 1.00 43.34 H new ATOM 0 HG LEU A 21 3.744 -5.952 2.797 1.00 52.40 H new ATOM 0 HD11 LEU A 21 3.614 -5.827 0.337 1.00 55.30 H new ATOM 0 HD12 LEU A 21 3.038 -7.393 0.957 1.00 55.30 H new ATOM 0 HD13 LEU A 21 1.868 -6.164 0.419 1.00 55.30 H new ATOM 0 HD21 LEU A 21 3.361 -3.775 1.681 1.00 61.45 H new ATOM 0 HD22 LEU A 21 1.604 -4.014 1.838 1.00 61.45 H new ATOM 0 HD23 LEU A 21 2.611 -3.835 3.294 1.00 61.45 H new ATOM 357 N GLU A 22 3.970 -9.038 3.071 1.00 64.34 N ATOM 358 CA GLU A 22 5.344 -9.415 3.425 1.00 11.33 C ATOM 359 C GLU A 22 6.184 -8.179 3.798 1.00 13.33 C ATOM 360 O GLU A 22 6.196 -7.190 3.066 1.00 15.21 O ATOM 361 CB GLU A 22 5.985 -10.157 2.240 1.00 74.12 C ATOM 362 CG GLU A 22 7.445 -10.548 2.446 1.00 5.42 C ATOM 363 CD GLU A 22 7.988 -11.387 1.299 1.00 20.42 C ATOM 364 OE1 GLU A 22 7.857 -12.628 1.355 1.00 43.12 O ATOM 365 OE2 GLU A 22 8.525 -10.812 0.329 1.00 2.32 O ATOM 0 H GLU A 22 3.674 -9.372 2.154 1.00 64.34 H new ATOM 0 HA GLU A 22 5.314 -10.069 4.297 1.00 11.33 H new ATOM 0 HB2 GLU A 22 5.407 -11.059 2.038 1.00 74.12 H new ATOM 0 HB3 GLU A 22 5.914 -9.527 1.353 1.00 74.12 H new ATOM 0 HG2 GLU A 22 8.049 -9.646 2.550 1.00 5.42 H new ATOM 0 HG3 GLU A 22 7.541 -11.106 3.378 1.00 5.42 H new ATOM 372 N SER A 23 6.891 -8.247 4.929 1.00 64.52 N ATOM 373 CA SER A 23 7.661 -7.092 5.437 1.00 43.53 C ATOM 374 C SER A 23 8.685 -6.587 4.410 1.00 61.43 C ATOM 375 O SER A 23 8.983 -5.390 4.358 1.00 61.40 O ATOM 376 CB SER A 23 8.376 -7.440 6.749 1.00 23.14 C ATOM 377 OG SER A 23 9.029 -6.304 7.306 1.00 41.53 O ATOM 0 H SER A 23 6.951 -9.081 5.513 1.00 64.52 H new ATOM 0 HA SER A 23 6.942 -6.294 5.622 1.00 43.53 H new ATOM 0 HB2 SER A 23 7.654 -7.833 7.465 1.00 23.14 H new ATOM 0 HB3 SER A 23 9.107 -8.228 6.568 1.00 23.14 H new ATOM 0 HG SER A 23 9.473 -6.559 8.141 1.00 41.53 H new ATOM 383 N LYS A 24 9.231 -7.496 3.601 1.00 2.22 N ATOM 384 CA LYS A 24 10.131 -7.110 2.506 1.00 64.02 C ATOM 385 C LYS A 24 9.408 -6.190 1.503 1.00 52.13 C ATOM 386 O LYS A 24 10.002 -5.266 0.948 1.00 12.12 O ATOM 387 CB LYS A 24 10.673 -8.357 1.787 1.00 13.43 C ATOM 388 CG LYS A 24 11.404 -9.360 2.689 1.00 51.22 C ATOM 389 CD LYS A 24 12.674 -8.782 3.332 1.00 72.31 C ATOM 390 CE LYS A 24 12.391 -8.040 4.637 1.00 74.52 C ATOM 391 NZ LYS A 24 13.621 -7.456 5.229 1.00 72.35 N ATOM 0 H LYS A 24 9.069 -8.500 3.680 1.00 2.22 H new ATOM 0 HA LYS A 24 10.970 -6.562 2.935 1.00 64.02 H new ATOM 0 HB2 LYS A 24 9.842 -8.867 1.301 1.00 13.43 H new ATOM 0 HB3 LYS A 24 11.355 -8.036 0.999 1.00 13.43 H new ATOM 0 HG2 LYS A 24 10.726 -9.693 3.475 1.00 51.22 H new ATOM 0 HG3 LYS A 24 11.669 -10.240 2.103 1.00 51.22 H new ATOM 0 HD2 LYS A 24 13.379 -9.591 3.525 1.00 72.31 H new ATOM 0 HD3 LYS A 24 13.154 -8.101 2.629 1.00 72.31 H new ATOM 0 HE2 LYS A 24 11.667 -7.247 4.452 1.00 74.52 H new ATOM 0 HE3 LYS A 24 11.936 -8.726 5.352 1.00 74.52 H new ATOM 0 HZ1 LYS A 24 13.381 -6.963 6.112 1.00 72.35 H new ATOM 0 HZ2 LYS A 24 14.303 -8.215 5.431 1.00 72.35 H new ATOM 0 HZ3 LYS A 24 14.042 -6.781 4.559 1.00 72.35 H new ATOM 405 N GLY A 25 8.129 -6.471 1.263 1.00 35.13 N ATOM 406 CA GLY A 25 7.290 -5.583 0.463 1.00 43.33 C ATOM 407 C GLY A 25 6.847 -4.336 1.233 1.00 64.21 C ATOM 408 O GLY A 25 6.752 -3.246 0.672 1.00 31.24 O ATOM 0 H GLY A 25 7.653 -7.304 1.610 1.00 35.13 H new ATOM 0 HA2 GLY A 25 7.837 -5.279 -0.429 1.00 43.33 H new ATOM 0 HA3 GLY A 25 6.409 -6.129 0.126 1.00 43.33 H new ATOM 412 N LEU A 26 6.582 -4.503 2.531 1.00 54.14 N ATOM 413 CA LEU A 26 6.106 -3.409 3.391 1.00 51.14 C ATOM 414 C LEU A 26 7.033 -2.184 3.324 1.00 72.30 C ATOM 415 O LEU A 26 6.575 -1.051 3.135 1.00 73.43 O ATOM 416 CB LEU A 26 5.996 -3.896 4.842 1.00 44.24 C ATOM 417 CG LEU A 26 5.505 -2.851 5.857 1.00 2.34 C ATOM 418 CD1 LEU A 26 4.077 -2.413 5.542 1.00 75.21 C ATOM 419 CD2 LEU A 26 5.601 -3.398 7.280 1.00 43.54 C ATOM 0 H LEU A 26 6.689 -5.394 3.016 1.00 54.14 H new ATOM 0 HA LEU A 26 5.125 -3.105 3.027 1.00 51.14 H new ATOM 0 HB2 LEU A 26 5.319 -4.750 4.870 1.00 44.24 H new ATOM 0 HB3 LEU A 26 6.974 -4.255 5.161 1.00 44.24 H new ATOM 0 HG LEU A 26 6.150 -1.976 5.781 1.00 2.34 H new ATOM 0 HD11 LEU A 26 3.753 -1.674 6.275 1.00 75.21 H new ATOM 0 HD12 LEU A 26 4.042 -1.975 4.545 1.00 75.21 H new ATOM 0 HD13 LEU A 26 3.414 -3.277 5.582 1.00 75.21 H new ATOM 0 HD21 LEU A 26 5.249 -2.644 7.984 1.00 43.54 H new ATOM 0 HD22 LEU A 26 4.985 -4.293 7.368 1.00 43.54 H new ATOM 0 HD23 LEU A 26 6.638 -3.648 7.504 1.00 43.54 H new ATOM 431 N GLU A 27 8.338 -2.418 3.471 1.00 40.40 N ATOM 432 CA GLU A 27 9.325 -1.335 3.383 1.00 45.30 C ATOM 433 C GLU A 27 9.255 -0.626 2.022 1.00 60.01 C ATOM 434 O GLU A 27 9.527 0.568 1.921 1.00 44.20 O ATOM 435 CB GLU A 27 10.749 -1.859 3.612 1.00 62.34 C ATOM 436 CG GLU A 27 11.191 -2.901 2.591 1.00 5.25 C ATOM 437 CD GLU A 27 12.690 -3.144 2.611 1.00 33.13 C ATOM 438 OE1 GLU A 27 13.205 -3.624 3.645 1.00 54.23 O ATOM 439 OE2 GLU A 27 13.363 -2.838 1.604 1.00 52.31 O ATOM 0 H GLU A 27 8.736 -3.340 3.650 1.00 40.40 H new ATOM 0 HA GLU A 27 9.081 -0.619 4.168 1.00 45.30 H new ATOM 0 HB2 GLU A 27 11.444 -1.020 3.585 1.00 62.34 H new ATOM 0 HB3 GLU A 27 10.811 -2.292 4.610 1.00 62.34 H new ATOM 0 HG2 GLU A 27 10.673 -3.839 2.788 1.00 5.25 H new ATOM 0 HG3 GLU A 27 10.893 -2.576 1.594 1.00 5.25 H new ATOM 446 N ALA A 28 8.894 -1.371 0.977 1.00 34.53 N ATOM 447 CA ALA A 28 8.750 -0.801 -0.363 1.00 23.02 C ATOM 448 C ALA A 28 7.660 0.276 -0.384 1.00 41.12 C ATOM 449 O ALA A 28 7.856 1.365 -0.928 1.00 20.22 O ATOM 450 CB ALA A 28 8.436 -1.898 -1.374 1.00 22.05 C ATOM 0 H ALA A 28 8.696 -2.370 1.032 1.00 34.53 H new ATOM 0 HA ALA A 28 9.695 -0.332 -0.639 1.00 23.02 H new ATOM 0 HB1 ALA A 28 8.332 -1.459 -2.366 1.00 22.05 H new ATOM 0 HB2 ALA A 28 9.246 -2.627 -1.383 1.00 22.05 H new ATOM 0 HB3 ALA A 28 7.505 -2.393 -1.096 1.00 22.05 H new ATOM 456 N LEU A 29 6.518 -0.033 0.225 1.00 2.53 N ATOM 457 CA LEU A 29 5.434 0.944 0.369 1.00 2.23 C ATOM 458 C LEU A 29 5.888 2.132 1.232 1.00 61.24 C ATOM 459 O LEU A 29 5.649 3.287 0.888 1.00 22.41 O ATOM 460 CB LEU A 29 4.179 0.292 0.984 1.00 61.11 C ATOM 461 CG LEU A 29 3.373 -0.640 0.054 1.00 75.11 C ATOM 462 CD1 LEU A 29 2.890 0.108 -1.188 1.00 33.30 C ATOM 463 CD2 LEU A 29 4.188 -1.870 -0.342 1.00 62.24 C ATOM 0 H LEU A 29 6.316 -0.949 0.627 1.00 2.53 H new ATOM 0 HA LEU A 29 5.179 1.309 -0.626 1.00 2.23 H new ATOM 0 HB2 LEU A 29 4.484 -0.279 1.861 1.00 61.11 H new ATOM 0 HB3 LEU A 29 3.517 1.084 1.333 1.00 61.11 H new ATOM 0 HG LEU A 29 2.499 -0.981 0.609 1.00 75.11 H new ATOM 0 HD11 LEU A 29 2.325 -0.572 -1.826 1.00 33.30 H new ATOM 0 HD12 LEU A 29 2.251 0.938 -0.887 1.00 33.30 H new ATOM 0 HD13 LEU A 29 3.749 0.492 -1.738 1.00 33.30 H new ATOM 0 HD21 LEU A 29 3.592 -2.506 -0.997 1.00 62.24 H new ATOM 0 HD22 LEU A 29 5.091 -1.555 -0.865 1.00 62.24 H new ATOM 0 HD23 LEU A 29 4.463 -2.428 0.553 1.00 62.24 H new ATOM 475 N ASN A 30 6.566 1.836 2.347 1.00 64.33 N ATOM 476 CA ASN A 30 7.078 2.888 3.244 1.00 43.53 C ATOM 477 C ASN A 30 8.009 3.862 2.499 1.00 34.53 C ATOM 478 O ASN A 30 7.838 5.079 2.573 1.00 2.42 O ATOM 479 CB ASN A 30 7.827 2.263 4.432 1.00 42.11 C ATOM 480 CG ASN A 30 6.905 1.597 5.443 1.00 43.32 C ATOM 481 OD1 ASN A 30 5.783 1.069 4.993 1.00 75.22 O flip ATOM 482 ND2 ASN A 30 7.206 1.546 6.629 1.00 64.41 N flip ATOM 0 H ASN A 30 6.774 0.885 2.651 1.00 64.33 H new ATOM 0 HA ASN A 30 6.220 3.450 3.612 1.00 43.53 H new ATOM 0 HB2 ASN A 30 8.537 1.526 4.057 1.00 42.11 H new ATOM 0 HB3 ASN A 30 8.407 3.037 4.935 1.00 42.11 H new ATOM 0 HD21 ASN A 30 8.080 1.962 6.952 1.00 64.41 H new ATOM 0 HD22 ASN A 30 6.583 1.087 7.294 1.00 64.41 H new ATOM 489 N LYS A 31 8.981 3.313 1.770 1.00 23.34 N ATOM 490 CA LYS A 31 9.935 4.120 1.001 1.00 64.53 C ATOM 491 C LYS A 31 9.226 4.946 -0.085 1.00 52.22 C ATOM 492 O LYS A 31 9.556 6.114 -0.302 1.00 31.44 O ATOM 493 CB LYS A 31 11.009 3.210 0.378 1.00 34.51 C ATOM 494 CG LYS A 31 11.936 2.573 1.416 1.00 14.31 C ATOM 495 CD LYS A 31 12.955 1.616 0.791 1.00 13.14 C ATOM 496 CE LYS A 31 12.293 0.373 0.199 1.00 60.25 C ATOM 497 NZ LYS A 31 13.292 -0.640 -0.243 1.00 53.13 N ATOM 0 H LYS A 31 9.131 2.307 1.694 1.00 23.34 H new ATOM 0 HA LYS A 31 10.416 4.822 1.683 1.00 64.53 H new ATOM 0 HB2 LYS A 31 10.520 2.422 -0.195 1.00 34.51 H new ATOM 0 HB3 LYS A 31 11.606 3.792 -0.324 1.00 34.51 H new ATOM 0 HG2 LYS A 31 12.465 3.359 1.955 1.00 14.31 H new ATOM 0 HG3 LYS A 31 11.337 2.032 2.148 1.00 14.31 H new ATOM 0 HD2 LYS A 31 13.509 2.137 0.010 1.00 13.14 H new ATOM 0 HD3 LYS A 31 13.679 1.314 1.548 1.00 13.14 H new ATOM 0 HE2 LYS A 31 11.631 -0.072 0.941 1.00 60.25 H new ATOM 0 HE3 LYS A 31 11.672 0.663 -0.649 1.00 60.25 H new ATOM 0 HZ1 LYS A 31 13.027 -1.002 -1.181 1.00 53.13 H new ATOM 0 HZ2 LYS A 31 14.233 -0.200 -0.294 1.00 53.13 H new ATOM 0 HZ3 LYS A 31 13.314 -1.426 0.438 1.00 53.13 H new ATOM 511 N ALA A 32 8.242 4.342 -0.750 1.00 75.33 N ATOM 512 CA ALA A 32 7.449 5.040 -1.770 1.00 55.32 C ATOM 513 C ALA A 32 6.632 6.196 -1.157 1.00 73.44 C ATOM 514 O ALA A 32 6.494 7.267 -1.758 1.00 53.30 O ATOM 515 CB ALA A 32 6.529 4.052 -2.479 1.00 35.31 C ATOM 0 H ALA A 32 7.972 3.369 -0.603 1.00 75.33 H new ATOM 0 HA ALA A 32 8.136 5.473 -2.497 1.00 55.32 H new ATOM 0 HB1 ALA A 32 5.944 4.577 -3.234 1.00 35.31 H new ATOM 0 HB2 ALA A 32 7.127 3.277 -2.958 1.00 35.31 H new ATOM 0 HB3 ALA A 32 5.857 3.595 -1.753 1.00 35.31 H new ATOM 521 N ILE A 33 6.080 5.963 0.037 1.00 3.04 N ATOM 522 CA ILE A 33 5.328 6.998 0.767 1.00 35.41 C ATOM 523 C ILE A 33 6.240 8.169 1.155 1.00 42.22 C ATOM 524 O ILE A 33 5.927 9.328 0.890 1.00 75.53 O ATOM 525 CB ILE A 33 4.658 6.414 2.041 1.00 43.22 C ATOM 526 CG1 ILE A 33 3.597 5.369 1.655 1.00 62.33 C ATOM 527 CG2 ILE A 33 4.035 7.523 2.895 1.00 53.11 C ATOM 528 CD1 ILE A 33 2.992 4.636 2.832 1.00 72.25 C ATOM 0 H ILE A 33 6.138 5.068 0.522 1.00 3.04 H new ATOM 0 HA ILE A 33 4.548 7.363 0.099 1.00 35.41 H new ATOM 0 HB ILE A 33 5.429 5.926 2.637 1.00 43.22 H new ATOM 0 HG12 ILE A 33 2.800 5.865 1.101 1.00 62.33 H new ATOM 0 HG13 ILE A 33 4.048 4.641 0.981 1.00 62.33 H new ATOM 0 HG21 ILE A 33 3.573 7.085 3.780 1.00 53.11 H new ATOM 0 HG22 ILE A 33 4.810 8.226 3.200 1.00 53.11 H new ATOM 0 HG23 ILE A 33 3.278 8.048 2.313 1.00 53.11 H new ATOM 0 HD11 ILE A 33 2.254 3.918 2.473 1.00 72.25 H new ATOM 0 HD12 ILE A 33 3.777 4.109 3.375 1.00 72.25 H new ATOM 0 HD13 ILE A 33 2.509 5.352 3.497 1.00 72.25 H new ATOM 540 N VAL A 34 7.382 7.851 1.767 1.00 31.23 N ATOM 541 CA VAL A 34 8.376 8.866 2.133 1.00 1.34 C ATOM 542 C VAL A 34 8.906 9.597 0.886 1.00 61.31 C ATOM 543 O VAL A 34 9.244 10.782 0.938 1.00 43.24 O ATOM 544 CB VAL A 34 9.560 8.232 2.910 1.00 73.44 C ATOM 545 CG1 VAL A 34 10.595 9.285 3.303 1.00 32.32 C ATOM 546 CG2 VAL A 34 9.051 7.488 4.142 1.00 23.33 C ATOM 0 H VAL A 34 7.643 6.898 2.021 1.00 31.23 H new ATOM 0 HA VAL A 34 7.879 9.590 2.779 1.00 1.34 H new ATOM 0 HB VAL A 34 10.051 7.517 2.250 1.00 73.44 H new ATOM 0 HG11 VAL A 34 11.411 8.808 3.846 1.00 32.32 H new ATOM 0 HG12 VAL A 34 10.987 9.763 2.405 1.00 32.32 H new ATOM 0 HG13 VAL A 34 10.126 10.036 3.939 1.00 32.32 H new ATOM 0 HG21 VAL A 34 9.894 7.049 4.676 1.00 23.33 H new ATOM 0 HG22 VAL A 34 8.529 8.185 4.798 1.00 23.33 H new ATOM 0 HG23 VAL A 34 8.366 6.698 3.833 1.00 23.33 H new ATOM 556 N SER A 35 8.964 8.880 -0.235 1.00 72.32 N ATOM 557 CA SER A 35 9.357 9.470 -1.524 1.00 60.31 C ATOM 558 C SER A 35 8.263 10.406 -2.066 1.00 71.22 C ATOM 559 O SER A 35 8.522 11.234 -2.944 1.00 54.53 O ATOM 560 CB SER A 35 9.648 8.365 -2.550 1.00 12.01 C ATOM 561 OG SER A 35 10.088 8.901 -3.794 1.00 71.14 O ATOM 0 H SER A 35 8.744 7.885 -0.282 1.00 72.32 H new ATOM 0 HA SER A 35 10.261 10.057 -1.359 1.00 60.31 H new ATOM 0 HB2 SER A 35 10.409 7.693 -2.154 1.00 12.01 H new ATOM 0 HB3 SER A 35 8.749 7.770 -2.708 1.00 12.01 H new ATOM 0 HG SER A 35 10.265 8.169 -4.421 1.00 71.14 H new ATOM 567 N GLY A 36 7.045 10.260 -1.544 1.00 51.45 N ATOM 568 CA GLY A 36 5.933 11.110 -1.957 1.00 3.40 C ATOM 569 C GLY A 36 5.411 10.797 -3.358 1.00 2.04 C ATOM 570 O GLY A 36 5.175 11.704 -4.154 1.00 0.33 O ATOM 0 H GLY A 36 6.806 9.564 -0.838 1.00 51.45 H new ATOM 0 HA2 GLY A 36 5.118 11.000 -1.242 1.00 3.40 H new ATOM 0 HA3 GLY A 36 6.250 12.152 -1.921 1.00 3.40 H new ATOM 574 N THR A 37 5.228 9.511 -3.664 1.00 2.24 N ATOM 575 CA THR A 37 4.720 9.095 -4.988 1.00 22.14 C ATOM 576 C THR A 37 3.580 8.068 -4.871 1.00 41.02 C ATOM 577 O THR A 37 3.267 7.355 -5.826 1.00 4.04 O ATOM 578 CB THR A 37 5.855 8.500 -5.867 1.00 14.42 C ATOM 579 OG1 THR A 37 5.360 8.178 -7.178 1.00 2.41 O ATOM 580 CG2 THR A 37 6.456 7.250 -5.225 1.00 15.14 C ATOM 0 H THR A 37 5.420 8.740 -3.024 1.00 2.24 H new ATOM 0 HA THR A 37 4.330 9.995 -5.464 1.00 22.14 H new ATOM 0 HB THR A 37 6.636 9.255 -5.952 1.00 14.42 H new ATOM 0 HG1 THR A 37 4.459 7.800 -7.104 1.00 2.41 H new ATOM 0 HG21 THR A 37 7.247 6.857 -5.864 1.00 15.14 H new ATOM 0 HG22 THR A 37 6.870 7.505 -4.250 1.00 15.14 H new ATOM 0 HG23 THR A 37 5.680 6.495 -5.103 1.00 15.14 H new ATOM 588 N VAL A 38 2.943 8.009 -3.707 1.00 52.32 N ATOM 589 CA VAL A 38 1.861 7.046 -3.470 1.00 71.00 C ATOM 590 C VAL A 38 0.475 7.691 -3.627 1.00 21.43 C ATOM 591 O VAL A 38 -0.008 8.387 -2.730 1.00 23.33 O ATOM 592 CB VAL A 38 1.971 6.411 -2.063 1.00 74.34 C ATOM 593 CG1 VAL A 38 0.834 5.419 -1.818 1.00 24.14 C ATOM 594 CG2 VAL A 38 3.321 5.727 -1.892 1.00 71.43 C ATOM 0 H VAL A 38 3.152 8.612 -2.912 1.00 52.32 H new ATOM 0 HA VAL A 38 1.971 6.268 -4.225 1.00 71.00 H new ATOM 0 HB VAL A 38 1.888 7.209 -1.325 1.00 74.34 H new ATOM 0 HG11 VAL A 38 0.936 4.988 -0.822 1.00 24.14 H new ATOM 0 HG12 VAL A 38 -0.123 5.936 -1.894 1.00 24.14 H new ATOM 0 HG13 VAL A 38 0.877 4.625 -2.563 1.00 24.14 H new ATOM 0 HG21 VAL A 38 3.382 5.286 -0.897 1.00 71.43 H new ATOM 0 HG22 VAL A 38 3.430 4.945 -2.643 1.00 71.43 H new ATOM 0 HG23 VAL A 38 4.118 6.460 -2.013 1.00 71.43 H new ATOM 604 N GLN A 39 -0.154 7.467 -4.780 1.00 71.14 N ATOM 605 CA GLN A 39 -1.529 7.919 -5.011 1.00 41.03 C ATOM 606 C GLN A 39 -2.534 6.883 -4.483 1.00 4.23 C ATOM 607 O GLN A 39 -2.315 5.677 -4.595 1.00 21.40 O ATOM 608 CB GLN A 39 -1.780 8.151 -6.508 1.00 20.10 C ATOM 609 CG GLN A 39 -0.841 9.165 -7.159 1.00 22.13 C ATOM 610 CD GLN A 39 -1.174 9.409 -8.623 1.00 42.32 C ATOM 611 OE1 GLN A 39 -2.326 9.310 -9.032 1.00 41.14 O ATOM 612 NE2 GLN A 39 -0.177 9.719 -9.423 1.00 42.12 N ATOM 0 H GLN A 39 0.265 6.976 -5.570 1.00 71.14 H new ATOM 0 HA GLN A 39 -1.665 8.859 -4.476 1.00 41.03 H new ATOM 0 HB2 GLN A 39 -1.685 7.199 -7.031 1.00 20.10 H new ATOM 0 HB3 GLN A 39 -2.808 8.488 -6.643 1.00 20.10 H new ATOM 0 HG2 GLN A 39 -0.896 10.108 -6.615 1.00 22.13 H new ATOM 0 HG3 GLN A 39 0.186 8.809 -7.077 1.00 22.13 H new ATOM 0 HE21 GLN A 39 0.770 9.794 -9.052 1.00 42.12 H new ATOM 0 HE22 GLN A 39 -0.351 9.885 -10.414 1.00 42.12 H new ATOM 621 N ARG A 40 -3.631 7.353 -3.909 1.00 62.21 N ATOM 622 CA ARG A 40 -4.680 6.458 -3.416 1.00 41.35 C ATOM 623 C ARG A 40 -5.598 5.999 -4.563 1.00 51.34 C ATOM 624 O ARG A 40 -5.563 6.561 -5.661 1.00 3.12 O ATOM 625 CB ARG A 40 -5.508 7.170 -2.328 1.00 13.11 C ATOM 626 CG ARG A 40 -5.788 6.296 -1.114 1.00 14.42 C ATOM 627 CD ARG A 40 -4.518 6.027 -0.311 1.00 54.22 C ATOM 628 NE ARG A 40 -4.677 4.903 0.605 1.00 2.54 N ATOM 629 CZ ARG A 40 -4.981 5.019 1.864 1.00 5.51 C ATOM 630 NH1 ARG A 40 -5.183 6.184 2.396 1.00 42.12 N ATOM 631 NH2 ARG A 40 -5.092 3.957 2.586 1.00 53.44 N ATOM 0 H ARG A 40 -3.823 8.345 -3.771 1.00 62.21 H new ATOM 0 HA ARG A 40 -4.205 5.575 -2.988 1.00 41.35 H new ATOM 0 HB2 ARG A 40 -4.978 8.067 -2.007 1.00 13.11 H new ATOM 0 HB3 ARG A 40 -6.455 7.497 -2.758 1.00 13.11 H new ATOM 0 HG2 ARG A 40 -6.526 6.783 -0.477 1.00 14.42 H new ATOM 0 HG3 ARG A 40 -6.222 5.350 -1.438 1.00 14.42 H new ATOM 0 HD2 ARG A 40 -3.694 5.824 -0.994 1.00 54.22 H new ATOM 0 HD3 ARG A 40 -4.251 6.920 0.254 1.00 54.22 H new ATOM 0 HE ARG A 40 -4.541 3.963 0.233 1.00 2.54 H new ATOM 0 HH11 ARG A 40 -5.104 7.026 1.825 1.00 42.12 H new ATOM 0 HH12 ARG A 40 -5.421 6.259 3.385 1.00 42.12 H new ATOM 0 HH21 ARG A 40 -4.942 3.039 2.169 1.00 53.44 H new ATOM 0 HH22 ARG A 40 -5.330 4.035 3.575 1.00 53.44 H new ATOM 645 N ALA A 41 -6.416 4.973 -4.308 1.00 24.51 N ATOM 646 CA ALA A 41 -7.434 4.537 -5.278 1.00 43.20 C ATOM 647 C ALA A 41 -8.344 5.710 -5.668 1.00 35.24 C ATOM 648 O ALA A 41 -8.745 5.851 -6.825 1.00 33.05 O ATOM 649 CB ALA A 41 -8.254 3.386 -4.707 1.00 5.02 C ATOM 0 H ALA A 41 -6.396 4.430 -3.445 1.00 24.51 H new ATOM 0 HA ALA A 41 -6.927 4.185 -6.177 1.00 43.20 H new ATOM 0 HB1 ALA A 41 -9.002 3.075 -5.436 1.00 5.02 H new ATOM 0 HB2 ALA A 41 -7.596 2.547 -4.482 1.00 5.02 H new ATOM 0 HB3 ALA A 41 -8.751 3.712 -3.793 1.00 5.02 H new ATOM 655 N ASP A 42 -8.668 6.542 -4.679 1.00 15.32 N ATOM 656 CA ASP A 42 -9.352 7.814 -4.920 1.00 41.43 C ATOM 657 C ASP A 42 -8.490 8.744 -5.794 1.00 41.42 C ATOM 658 O ASP A 42 -8.906 9.179 -6.870 1.00 65.11 O ATOM 659 CB ASP A 42 -9.670 8.494 -3.578 1.00 71.32 C ATOM 660 CG ASP A 42 -10.006 9.970 -3.735 1.00 44.30 C ATOM 661 OD1 ASP A 42 -11.173 10.296 -4.029 1.00 63.35 O ATOM 662 OD2 ASP A 42 -9.092 10.808 -3.582 1.00 34.04 O ATOM 0 H ASP A 42 -8.467 6.357 -3.696 1.00 15.32 H new ATOM 0 HA ASP A 42 -10.282 7.613 -5.453 1.00 41.43 H new ATOM 0 HB2 ASP A 42 -10.509 7.983 -3.105 1.00 71.32 H new ATOM 0 HB3 ASP A 42 -8.815 8.389 -2.910 1.00 71.32 H new ATOM 667 N GLY A 43 -7.287 9.042 -5.313 1.00 2.31 N ATOM 668 CA GLY A 43 -6.385 9.943 -6.020 1.00 21.33 C ATOM 669 C GLY A 43 -5.506 10.749 -5.072 1.00 21.13 C ATOM 670 O GLY A 43 -4.416 11.183 -5.444 1.00 62.15 O ATOM 0 H GLY A 43 -6.915 8.673 -4.438 1.00 2.31 H new ATOM 0 HA2 GLY A 43 -5.753 9.364 -6.693 1.00 21.33 H new ATOM 0 HA3 GLY A 43 -6.969 10.625 -6.638 1.00 21.33 H new ATOM 674 N SER A 44 -5.991 10.948 -3.841 1.00 54.14 N ATOM 675 CA SER A 44 -5.234 11.672 -2.804 1.00 51.22 C ATOM 676 C SER A 44 -3.876 11.012 -2.515 1.00 14.45 C ATOM 677 O SER A 44 -3.739 9.788 -2.568 1.00 14.15 O ATOM 678 CB SER A 44 -6.047 11.750 -1.500 1.00 62.03 C ATOM 679 OG SER A 44 -6.279 10.459 -0.947 1.00 51.35 O ATOM 0 H SER A 44 -6.906 10.618 -3.535 1.00 54.14 H new ATOM 0 HA SER A 44 -5.051 12.676 -3.187 1.00 51.22 H new ATOM 0 HB2 SER A 44 -5.515 12.366 -0.775 1.00 62.03 H new ATOM 0 HB3 SER A 44 -7.001 12.240 -1.695 1.00 62.03 H new ATOM 0 HG SER A 44 -6.796 10.546 -0.119 1.00 51.35 H new ATOM 685 N ILE A 45 -2.868 11.828 -2.223 1.00 54.33 N ATOM 686 CA ILE A 45 -1.535 11.318 -1.883 1.00 13.45 C ATOM 687 C ILE A 45 -1.488 10.799 -0.434 1.00 35.42 C ATOM 688 O ILE A 45 -1.806 11.530 0.512 1.00 52.42 O ATOM 689 CB ILE A 45 -0.447 12.409 -2.072 1.00 14.40 C ATOM 690 CG1 ILE A 45 -0.435 12.917 -3.527 1.00 13.13 C ATOM 691 CG2 ILE A 45 0.935 11.881 -1.674 1.00 0.41 C ATOM 692 CD1 ILE A 45 -0.128 11.848 -4.557 1.00 44.33 C ATOM 0 H ILE A 45 -2.944 12.845 -2.214 1.00 54.33 H new ATOM 0 HA ILE A 45 -1.330 10.492 -2.564 1.00 13.45 H new ATOM 0 HB ILE A 45 -0.690 13.245 -1.417 1.00 14.40 H new ATOM 0 HG12 ILE A 45 -1.406 13.356 -3.754 1.00 13.13 H new ATOM 0 HG13 ILE A 45 0.304 13.714 -3.616 1.00 13.13 H new ATOM 0 HG21 ILE A 45 1.679 12.665 -1.816 1.00 0.41 H new ATOM 0 HG22 ILE A 45 0.921 11.579 -0.627 1.00 0.41 H new ATOM 0 HG23 ILE A 45 1.189 11.023 -2.296 1.00 0.41 H new ATOM 0 HD11 ILE A 45 -0.139 12.289 -5.554 1.00 44.33 H new ATOM 0 HD12 ILE A 45 0.856 11.424 -4.359 1.00 44.33 H new ATOM 0 HD13 ILE A 45 -0.880 11.061 -4.500 1.00 44.33 H new ATOM 704 N GLN A 46 -1.096 9.538 -0.268 1.00 44.31 N ATOM 705 CA GLN A 46 -0.991 8.929 1.063 1.00 4.34 C ATOM 706 C GLN A 46 0.335 9.295 1.747 1.00 3.31 C ATOM 707 O GLN A 46 1.403 8.835 1.342 1.00 23.33 O ATOM 708 CB GLN A 46 -1.126 7.399 0.973 1.00 61.22 C ATOM 709 CG GLN A 46 -0.969 6.696 2.319 1.00 34.04 C ATOM 710 CD GLN A 46 -1.076 5.184 2.226 1.00 72.13 C ATOM 711 OE1 GLN A 46 -1.774 4.641 1.380 1.00 73.14 O ATOM 712 NE2 GLN A 46 -0.386 4.490 3.105 1.00 23.24 N ATOM 0 H GLN A 46 -0.845 8.915 -1.036 1.00 44.31 H new ATOM 0 HA GLN A 46 -1.808 9.325 1.667 1.00 4.34 H new ATOM 0 HB2 GLN A 46 -2.101 7.152 0.554 1.00 61.22 H new ATOM 0 HB3 GLN A 46 -0.376 7.016 0.282 1.00 61.22 H new ATOM 0 HG2 GLN A 46 -0.002 6.959 2.747 1.00 34.04 H new ATOM 0 HG3 GLN A 46 -1.732 7.065 3.005 1.00 34.04 H new ATOM 0 HE21 GLN A 46 0.187 4.971 3.798 1.00 23.24 H new ATOM 0 HE22 GLN A 46 -0.424 3.471 3.093 1.00 23.24 H new ATOM 721 N ASN A 47 0.262 10.130 2.783 1.00 20.41 N ATOM 722 CA ASN A 47 1.450 10.509 3.558 1.00 70.23 C ATOM 723 C ASN A 47 1.627 9.607 4.789 1.00 40.24 C ATOM 724 O ASN A 47 2.657 9.656 5.466 1.00 44.40 O ATOM 725 CB ASN A 47 1.358 11.978 3.992 1.00 75.11 C ATOM 726 CG ASN A 47 1.240 12.919 2.809 1.00 31.12 C ATOM 727 OD1 ASN A 47 2.236 13.398 2.276 1.00 13.01 O ATOM 728 ND2 ASN A 47 0.022 13.192 2.386 1.00 31.31 N ATOM 0 H ASN A 47 -0.605 10.558 3.107 1.00 20.41 H new ATOM 0 HA ASN A 47 2.321 10.380 2.915 1.00 70.23 H new ATOM 0 HB2 ASN A 47 0.495 12.109 4.645 1.00 75.11 H new ATOM 0 HB3 ASN A 47 2.241 12.239 4.575 1.00 75.11 H new ATOM 0 HD21 ASN A 47 -0.114 13.819 1.593 1.00 31.31 H new ATOM 0 HD22 ASN A 47 -0.785 12.777 2.852 1.00 31.31 H new ATOM 735 N GLN A 48 0.618 8.785 5.076 1.00 13.41 N ATOM 736 CA GLN A 48 0.666 7.866 6.218 1.00 55.31 C ATOM 737 C GLN A 48 1.577 6.663 5.933 1.00 54.44 C ATOM 738 O GLN A 48 1.197 5.741 5.207 1.00 15.21 O ATOM 739 CB GLN A 48 -0.744 7.369 6.572 1.00 51.12 C ATOM 740 CG GLN A 48 -1.701 8.467 7.025 1.00 55.24 C ATOM 741 CD GLN A 48 -3.091 7.937 7.346 1.00 11.25 C ATOM 742 OE1 GLN A 48 -3.547 6.960 6.765 1.00 4.55 O ATOM 743 NE2 GLN A 48 -3.775 8.570 8.277 1.00 75.32 N ATOM 0 H GLN A 48 -0.245 8.735 4.534 1.00 13.41 H new ATOM 0 HA GLN A 48 1.077 8.419 7.063 1.00 55.31 H new ATOM 0 HB2 GLN A 48 -1.169 6.869 5.702 1.00 51.12 H new ATOM 0 HB3 GLN A 48 -0.666 6.623 7.362 1.00 51.12 H new ATOM 0 HG2 GLN A 48 -1.291 8.959 7.907 1.00 55.24 H new ATOM 0 HG3 GLN A 48 -1.776 9.223 6.244 1.00 55.24 H new ATOM 0 HE21 GLN A 48 -3.370 9.381 8.745 1.00 75.32 H new ATOM 0 HE22 GLN A 48 -4.709 8.249 8.530 1.00 75.32 H new ATOM 752 N SER A 49 2.780 6.678 6.501 1.00 60.14 N ATOM 753 CA SER A 49 3.713 5.556 6.361 1.00 50.21 C ATOM 754 C SER A 49 3.235 4.343 7.169 1.00 53.33 C ATOM 755 O SER A 49 3.650 4.132 8.313 1.00 24.35 O ATOM 756 CB SER A 49 5.124 5.971 6.798 1.00 11.12 C ATOM 757 OG SER A 49 5.123 6.497 8.118 1.00 32.14 O ATOM 0 H SER A 49 3.134 7.452 7.063 1.00 60.14 H new ATOM 0 HA SER A 49 3.746 5.272 5.309 1.00 50.21 H new ATOM 0 HB2 SER A 49 5.790 5.110 6.748 1.00 11.12 H new ATOM 0 HB3 SER A 49 5.516 6.718 6.107 1.00 11.12 H new ATOM 0 HG SER A 49 4.605 5.907 8.705 1.00 32.14 H new ATOM 763 N LEU A 50 2.334 3.563 6.574 1.00 14.35 N ATOM 764 CA LEU A 50 1.755 2.390 7.241 1.00 75.10 C ATOM 765 C LEU A 50 2.826 1.362 7.654 1.00 22.12 C ATOM 766 O LEU A 50 3.803 1.136 6.944 1.00 73.03 O ATOM 767 CB LEU A 50 0.661 1.741 6.359 1.00 71.13 C ATOM 768 CG LEU A 50 0.971 1.597 4.849 1.00 64.32 C ATOM 769 CD1 LEU A 50 2.084 0.584 4.589 1.00 61.30 C ATOM 770 CD2 LEU A 50 -0.290 1.208 4.076 1.00 2.23 C ATOM 0 H LEU A 50 1.986 3.720 5.628 1.00 14.35 H new ATOM 0 HA LEU A 50 1.289 2.740 8.162 1.00 75.10 H new ATOM 0 HB2 LEU A 50 0.449 0.749 6.758 1.00 71.13 H new ATOM 0 HB3 LEU A 50 -0.251 2.328 6.463 1.00 71.13 H new ATOM 0 HG LEU A 50 1.319 2.568 4.496 1.00 64.32 H new ATOM 0 HD11 LEU A 50 2.269 0.514 3.517 1.00 61.30 H new ATOM 0 HD12 LEU A 50 2.994 0.906 5.094 1.00 61.30 H new ATOM 0 HD13 LEU A 50 1.784 -0.392 4.970 1.00 61.30 H new ATOM 0 HD21 LEU A 50 -0.052 1.112 3.017 1.00 2.23 H new ATOM 0 HD22 LEU A 50 -0.668 0.257 4.451 1.00 2.23 H new ATOM 0 HD23 LEU A 50 -1.050 1.978 4.209 1.00 2.23 H new ATOM 782 N HIS A 51 2.637 0.757 8.823 1.00 75.02 N ATOM 783 CA HIS A 51 3.568 -0.254 9.337 1.00 72.10 C ATOM 784 C HIS A 51 2.977 -1.667 9.206 1.00 52.00 C ATOM 785 O HIS A 51 3.558 -2.645 9.677 1.00 51.34 O ATOM 786 CB HIS A 51 3.911 0.048 10.798 1.00 51.45 C ATOM 787 CG HIS A 51 4.417 1.442 11.013 1.00 63.21 C ATOM 788 ND1 HIS A 51 3.733 2.391 11.744 1.00 40.23 N ATOM 789 CD2 HIS A 51 5.553 2.051 10.590 1.00 42.40 C ATOM 790 CE1 HIS A 51 4.418 3.515 11.759 1.00 14.54 C ATOM 791 NE2 HIS A 51 5.525 3.336 11.068 1.00 50.45 N ATOM 0 H HIS A 51 1.846 0.947 9.438 1.00 75.02 H new ATOM 0 HA HIS A 51 4.480 -0.216 8.742 1.00 72.10 H new ATOM 0 HB2 HIS A 51 3.024 -0.108 11.412 1.00 51.45 H new ATOM 0 HB3 HIS A 51 4.664 -0.661 11.141 1.00 51.45 H new ATOM 0 HD2 HIS A 51 6.333 1.607 9.989 1.00 42.40 H new ATOM 0 HE1 HIS A 51 4.123 4.428 12.254 1.00 14.54 H new ATOM 0 HE2 HIS A 51 6.246 4.041 10.913 1.00 50.45 H new ATOM 800 N GLU A 52 1.819 -1.757 8.556 1.00 4.34 N ATOM 801 CA GLU A 52 1.162 -3.041 8.306 1.00 23.33 C ATOM 802 C GLU A 52 0.046 -2.868 7.264 1.00 52.05 C ATOM 803 O GLU A 52 -0.655 -1.851 7.253 1.00 22.24 O ATOM 804 CB GLU A 52 0.594 -3.621 9.611 1.00 33.45 C ATOM 805 CG GLU A 52 0.193 -5.091 9.513 1.00 2.11 C ATOM 806 CD GLU A 52 -0.257 -5.663 10.847 1.00 71.03 C ATOM 807 OE1 GLU A 52 0.556 -5.661 11.799 1.00 3.24 O ATOM 808 OE2 GLU A 52 -1.422 -6.105 10.955 1.00 43.04 O ATOM 0 H GLU A 52 1.312 -0.951 8.190 1.00 4.34 H new ATOM 0 HA GLU A 52 1.901 -3.741 7.916 1.00 23.33 H new ATOM 0 HB2 GLU A 52 1.337 -3.509 10.400 1.00 33.45 H new ATOM 0 HB3 GLU A 52 -0.277 -3.036 9.908 1.00 33.45 H new ATOM 0 HG2 GLU A 52 -0.612 -5.197 8.786 1.00 2.11 H new ATOM 0 HG3 GLU A 52 1.037 -5.670 9.140 1.00 2.11 H new ATOM 815 N ALA A 53 -0.106 -3.850 6.383 1.00 62.54 N ATOM 816 CA ALA A 53 -1.065 -3.749 5.279 1.00 32.43 C ATOM 817 C ALA A 53 -1.466 -5.126 4.725 1.00 74.12 C ATOM 818 O ALA A 53 -0.868 -6.148 5.066 1.00 73.44 O ATOM 819 CB ALA A 53 -0.473 -2.890 4.166 1.00 33.51 C ATOM 0 H ALA A 53 0.419 -4.724 6.408 1.00 62.54 H new ATOM 0 HA ALA A 53 -1.970 -3.284 5.669 1.00 32.43 H new ATOM 0 HB1 ALA A 53 -1.187 -2.815 3.345 1.00 33.51 H new ATOM 0 HB2 ALA A 53 -0.257 -1.893 4.551 1.00 33.51 H new ATOM 0 HB3 ALA A 53 0.449 -3.347 3.805 1.00 33.51 H new ATOM 825 N LEU A 54 -2.480 -5.135 3.862 1.00 52.13 N ATOM 826 CA LEU A 54 -2.953 -6.366 3.215 1.00 74.24 C ATOM 827 C LEU A 54 -2.634 -6.361 1.714 1.00 21.31 C ATOM 828 O LEU A 54 -2.968 -5.417 1.002 1.00 72.41 O ATOM 829 CB LEU A 54 -4.468 -6.533 3.417 1.00 24.41 C ATOM 830 CG LEU A 54 -4.928 -6.681 4.876 1.00 74.40 C ATOM 831 CD1 LEU A 54 -6.452 -6.726 4.961 1.00 42.52 C ATOM 832 CD2 LEU A 54 -4.317 -7.930 5.513 1.00 4.12 C ATOM 0 H LEU A 54 -2.996 -4.298 3.590 1.00 52.13 H new ATOM 0 HA LEU A 54 -2.432 -7.203 3.679 1.00 74.24 H new ATOM 0 HB2 LEU A 54 -4.972 -5.671 2.981 1.00 24.41 H new ATOM 0 HB3 LEU A 54 -4.797 -7.410 2.860 1.00 24.41 H new ATOM 0 HG LEU A 54 -4.580 -5.809 5.431 1.00 74.40 H new ATOM 0 HD11 LEU A 54 -6.755 -6.831 6.003 1.00 42.52 H new ATOM 0 HD12 LEU A 54 -6.867 -5.804 4.554 1.00 42.52 H new ATOM 0 HD13 LEU A 54 -6.823 -7.575 4.388 1.00 42.52 H new ATOM 0 HD21 LEU A 54 -4.656 -8.015 6.545 1.00 4.12 H new ATOM 0 HD22 LEU A 54 -4.629 -8.813 4.955 1.00 4.12 H new ATOM 0 HD23 LEU A 54 -3.230 -7.854 5.493 1.00 4.12 H new ATOM 844 N ILE A 55 -1.999 -7.420 1.236 1.00 42.13 N ATOM 845 CA ILE A 55 -1.658 -7.545 -0.182 1.00 75.33 C ATOM 846 C ILE A 55 -2.639 -8.485 -0.900 1.00 71.15 C ATOM 847 O ILE A 55 -3.004 -9.540 -0.371 1.00 44.43 O ATOM 848 CB ILE A 55 -0.205 -8.071 -0.367 1.00 64.40 C ATOM 849 CG1 ILE A 55 0.169 -8.158 -1.859 1.00 2.33 C ATOM 850 CG2 ILE A 55 -0.022 -9.430 0.312 1.00 20.54 C ATOM 851 CD1 ILE A 55 0.171 -6.823 -2.575 1.00 44.14 C ATOM 0 H ILE A 55 -1.706 -8.212 1.809 1.00 42.13 H new ATOM 0 HA ILE A 55 -1.730 -6.550 -0.622 1.00 75.33 H new ATOM 0 HB ILE A 55 0.467 -7.358 0.110 1.00 64.40 H new ATOM 0 HG12 ILE A 55 1.158 -8.608 -1.949 1.00 2.33 H new ATOM 0 HG13 ILE A 55 -0.532 -8.826 -2.360 1.00 2.33 H new ATOM 0 HG21 ILE A 55 1.002 -9.774 0.167 1.00 20.54 H new ATOM 0 HG22 ILE A 55 -0.225 -9.334 1.379 1.00 20.54 H new ATOM 0 HG23 ILE A 55 -0.712 -10.151 -0.125 1.00 20.54 H new ATOM 0 HD11 ILE A 55 0.444 -6.971 -3.620 1.00 44.14 H new ATOM 0 HD12 ILE A 55 -0.823 -6.379 -2.519 1.00 44.14 H new ATOM 0 HD13 ILE A 55 0.893 -6.157 -2.102 1.00 44.14 H new ATOM 863 N THR A 56 -3.091 -8.088 -2.088 1.00 2.12 N ATOM 864 CA THR A 56 -3.954 -8.946 -2.902 1.00 11.15 C ATOM 865 C THR A 56 -3.149 -10.100 -3.515 1.00 51.32 C ATOM 866 O THR A 56 -1.942 -9.987 -3.737 1.00 53.33 O ATOM 867 CB THR A 56 -4.652 -8.157 -4.032 1.00 64.32 C ATOM 868 OG1 THR A 56 -3.681 -7.593 -4.930 1.00 2.04 O ATOM 869 CG2 THR A 56 -5.536 -7.047 -3.470 1.00 73.54 C ATOM 0 H THR A 56 -2.876 -7.183 -2.508 1.00 2.12 H new ATOM 0 HA THR A 56 -4.720 -9.345 -2.237 1.00 11.15 H new ATOM 0 HB THR A 56 -5.283 -8.858 -4.579 1.00 64.32 H new ATOM 0 HG1 THR A 56 -2.788 -7.664 -4.533 1.00 2.04 H new ATOM 0 HG21 THR A 56 -6.013 -6.511 -4.291 1.00 73.54 H new ATOM 0 HG22 THR A 56 -6.302 -7.482 -2.827 1.00 73.54 H new ATOM 0 HG23 THR A 56 -4.926 -6.354 -2.890 1.00 73.54 H new ATOM 877 N ARG A 57 -3.816 -11.217 -3.794 1.00 32.42 N ATOM 878 CA ARG A 57 -3.117 -12.431 -4.237 1.00 71.11 C ATOM 879 C ARG A 57 -2.577 -12.350 -5.682 1.00 13.01 C ATOM 880 O ARG A 57 -1.822 -13.229 -6.105 1.00 15.52 O ATOM 881 CB ARG A 57 -4.007 -13.668 -4.040 1.00 13.14 C ATOM 882 CG ARG A 57 -3.899 -14.259 -2.632 1.00 25.12 C ATOM 883 CD ARG A 57 -4.845 -15.436 -2.420 1.00 13.24 C ATOM 884 NE ARG A 57 -4.480 -16.235 -1.250 1.00 23.13 N ATOM 885 CZ ARG A 57 -4.853 -15.976 -0.025 1.00 1.41 C ATOM 886 NH1 ARG A 57 -5.521 -14.910 0.257 1.00 44.42 N ATOM 887 NH2 ARG A 57 -4.516 -16.780 0.928 1.00 20.25 N ATOM 0 H ARG A 57 -4.829 -11.312 -3.724 1.00 32.42 H new ATOM 0 HA ARG A 57 -2.234 -12.523 -3.604 1.00 71.11 H new ATOM 0 HB2 ARG A 57 -5.045 -13.398 -4.237 1.00 13.14 H new ATOM 0 HB3 ARG A 57 -3.731 -14.429 -4.770 1.00 13.14 H new ATOM 0 HG2 ARG A 57 -2.874 -14.584 -2.455 1.00 25.12 H new ATOM 0 HG3 ARG A 57 -4.118 -13.484 -1.898 1.00 25.12 H new ATOM 0 HD2 ARG A 57 -5.863 -15.065 -2.301 1.00 13.24 H new ATOM 0 HD3 ARG A 57 -4.838 -16.070 -3.307 1.00 13.24 H new ATOM 0 HE ARG A 57 -3.891 -17.054 -1.402 1.00 23.13 H new ATOM 0 HH11 ARG A 57 -5.767 -14.252 -0.482 1.00 44.42 H new ATOM 0 HH12 ARG A 57 -5.803 -14.725 1.219 1.00 44.42 H new ATOM 0 HH21 ARG A 57 -3.962 -17.611 0.722 1.00 20.25 H new ATOM 0 HH22 ARG A 57 -4.804 -16.584 1.887 1.00 20.25 H new ATOM 901 N ASP A 58 -2.943 -11.317 -6.440 1.00 15.35 N ATOM 902 CA ASP A 58 -2.289 -11.065 -7.736 1.00 62.22 C ATOM 903 C ASP A 58 -1.299 -9.887 -7.605 1.00 23.43 C ATOM 904 O ASP A 58 -0.693 -9.450 -8.584 1.00 4.35 O ATOM 905 CB ASP A 58 -3.321 -10.812 -8.846 1.00 61.41 C ATOM 906 CG ASP A 58 -2.812 -11.249 -10.214 1.00 0.54 C ATOM 907 OD1 ASP A 58 -2.183 -10.435 -10.921 1.00 24.21 O ATOM 908 OD2 ASP A 58 -3.026 -12.423 -10.584 1.00 12.54 O ATOM 0 H ASP A 58 -3.673 -10.650 -6.192 1.00 15.35 H new ATOM 0 HA ASP A 58 -1.730 -11.956 -8.021 1.00 62.22 H new ATOM 0 HB2 ASP A 58 -4.241 -11.349 -8.614 1.00 61.41 H new ATOM 0 HB3 ASP A 58 -3.569 -9.751 -8.874 1.00 61.41 H new ATOM 913 N ARG A 59 -1.104 -9.425 -6.360 1.00 50.05 N ATOM 914 CA ARG A 59 -0.096 -8.401 -6.010 1.00 43.30 C ATOM 915 C ARG A 59 -0.350 -7.049 -6.699 1.00 33.34 C ATOM 916 O ARG A 59 0.589 -6.286 -6.922 1.00 44.55 O ATOM 917 CB ARG A 59 1.339 -8.865 -6.356 1.00 70.35 C ATOM 918 CG ARG A 59 1.811 -10.147 -5.662 1.00 70.24 C ATOM 919 CD ARG A 59 1.240 -11.408 -6.309 1.00 51.01 C ATOM 920 NE ARG A 59 1.250 -11.319 -7.775 1.00 43.31 N ATOM 921 CZ ARG A 59 1.681 -12.244 -8.583 1.00 43.12 C ATOM 922 NH1 ARG A 59 2.204 -13.336 -8.125 1.00 71.21 N ATOM 923 NH2 ARG A 59 1.584 -12.069 -9.861 1.00 0.33 N ATOM 0 H ARG A 59 -1.644 -9.752 -5.559 1.00 50.05 H new ATOM 0 HA ARG A 59 -0.192 -8.266 -4.933 1.00 43.30 H new ATOM 0 HB2 ARG A 59 1.403 -9.013 -7.434 1.00 70.35 H new ATOM 0 HB3 ARG A 59 2.031 -8.062 -6.103 1.00 70.35 H new ATOM 0 HG2 ARG A 59 2.900 -10.190 -5.688 1.00 70.24 H new ATOM 0 HG3 ARG A 59 1.518 -10.117 -4.612 1.00 70.24 H new ATOM 0 HD2 ARG A 59 1.821 -12.274 -5.993 1.00 51.01 H new ATOM 0 HD3 ARG A 59 0.219 -11.565 -5.961 1.00 51.01 H new ATOM 0 HE ARG A 59 0.890 -10.462 -8.194 1.00 43.31 H new ATOM 0 HH11 ARG A 59 2.283 -13.481 -7.118 1.00 71.21 H new ATOM 0 HH12 ARG A 59 2.537 -14.052 -8.771 1.00 71.21 H new ATOM 0 HH21 ARG A 59 1.172 -11.211 -10.228 1.00 0.33 H new ATOM 0 HH22 ARG A 59 1.919 -12.789 -10.501 1.00 0.33 H new ATOM 937 N LYS A 60 -1.604 -6.734 -7.014 1.00 13.12 N ATOM 938 CA LYS A 60 -1.917 -5.485 -7.724 1.00 11.13 C ATOM 939 C LYS A 60 -2.407 -4.368 -6.785 1.00 40.21 C ATOM 940 O LYS A 60 -2.125 -3.187 -7.020 1.00 62.31 O ATOM 941 CB LYS A 60 -2.960 -5.735 -8.822 1.00 13.45 C ATOM 942 CG LYS A 60 -2.524 -6.774 -9.855 1.00 73.43 C ATOM 943 CD LYS A 60 -3.329 -6.671 -11.149 1.00 13.43 C ATOM 944 CE LYS A 60 -3.068 -5.345 -11.861 1.00 53.23 C ATOM 945 NZ LYS A 60 -3.790 -5.242 -13.155 1.00 43.31 N ATOM 0 H LYS A 60 -2.414 -7.314 -6.795 1.00 13.12 H new ATOM 0 HA LYS A 60 -0.984 -5.144 -8.173 1.00 11.13 H new ATOM 0 HB2 LYS A 60 -3.891 -6.063 -8.359 1.00 13.45 H new ATOM 0 HB3 LYS A 60 -3.171 -4.795 -9.331 1.00 13.45 H new ATOM 0 HG2 LYS A 60 -1.465 -6.642 -10.076 1.00 73.43 H new ATOM 0 HG3 LYS A 60 -2.640 -7.773 -9.435 1.00 73.43 H new ATOM 0 HD2 LYS A 60 -3.068 -7.498 -11.809 1.00 13.43 H new ATOM 0 HD3 LYS A 60 -4.392 -6.764 -10.927 1.00 13.43 H new ATOM 0 HE2 LYS A 60 -3.371 -4.523 -11.213 1.00 53.23 H new ATOM 0 HE3 LYS A 60 -1.998 -5.235 -12.036 1.00 53.23 H new ATOM 0 HZ1 LYS A 60 -3.580 -4.325 -13.598 1.00 43.31 H new ATOM 0 HZ2 LYS A 60 -3.483 -6.010 -13.786 1.00 43.31 H new ATOM 0 HZ3 LYS A 60 -4.814 -5.319 -12.988 1.00 43.31 H new ATOM 959 N GLN A 61 -3.134 -4.725 -5.728 1.00 75.33 N ATOM 960 CA GLN A 61 -3.693 -3.726 -4.803 1.00 12.11 C ATOM 961 C GLN A 61 -3.297 -4.003 -3.340 1.00 44.02 C ATOM 962 O GLN A 61 -3.166 -5.152 -2.921 1.00 71.20 O ATOM 963 CB GLN A 61 -5.224 -3.674 -4.946 1.00 30.53 C ATOM 964 CG GLN A 61 -5.691 -3.209 -6.327 1.00 40.21 C ATOM 965 CD GLN A 61 -7.206 -3.197 -6.493 1.00 2.45 C ATOM 966 OE1 GLN A 61 -7.935 -2.963 -5.415 1.00 20.34 O flip ATOM 967 NE2 GLN A 61 -7.722 -3.378 -7.591 1.00 75.32 N flip ATOM 0 H GLN A 61 -3.352 -5.692 -5.487 1.00 75.33 H new ATOM 0 HA GLN A 61 -3.272 -2.757 -5.071 1.00 12.11 H new ATOM 0 HB2 GLN A 61 -5.634 -4.664 -4.747 1.00 30.53 H new ATOM 0 HB3 GLN A 61 -5.629 -3.003 -4.189 1.00 30.53 H new ATOM 0 HG2 GLN A 61 -5.307 -2.206 -6.511 1.00 40.21 H new ATOM 0 HG3 GLN A 61 -5.257 -3.861 -7.085 1.00 40.21 H new ATOM 0 HE21 GLN A 61 -7.136 -3.557 -8.407 1.00 75.32 H new ATOM 0 HE22 GLN A 61 -8.737 -3.350 -7.688 1.00 75.32 H new ATOM 976 N VAL A 62 -3.091 -2.930 -2.573 1.00 52.52 N ATOM 977 CA VAL A 62 -2.750 -3.040 -1.144 1.00 61.52 C ATOM 978 C VAL A 62 -3.772 -2.293 -0.269 1.00 71.30 C ATOM 979 O VAL A 62 -4.130 -1.153 -0.563 1.00 24.22 O ATOM 980 CB VAL A 62 -1.328 -2.475 -0.858 1.00 23.31 C ATOM 981 CG1 VAL A 62 -0.973 -2.603 0.622 1.00 53.24 C ATOM 982 CG2 VAL A 62 -0.283 -3.181 -1.719 1.00 5.04 C ATOM 0 H VAL A 62 -3.154 -1.971 -2.914 1.00 52.52 H new ATOM 0 HA VAL A 62 -2.771 -4.101 -0.894 1.00 61.52 H new ATOM 0 HB VAL A 62 -1.332 -1.416 -1.116 1.00 23.31 H new ATOM 0 HG11 VAL A 62 0.025 -2.201 0.793 1.00 53.24 H new ATOM 0 HG12 VAL A 62 -1.696 -2.046 1.219 1.00 53.24 H new ATOM 0 HG13 VAL A 62 -0.995 -3.653 0.912 1.00 53.24 H new ATOM 0 HG21 VAL A 62 0.704 -2.771 -1.503 1.00 5.04 H new ATOM 0 HG22 VAL A 62 -0.289 -4.248 -1.497 1.00 5.04 H new ATOM 0 HG23 VAL A 62 -0.517 -3.029 -2.773 1.00 5.04 H new ATOM 992 N PHE A 63 -4.241 -2.939 0.799 1.00 50.24 N ATOM 993 CA PHE A 63 -5.182 -2.315 1.746 1.00 43.53 C ATOM 994 C PHE A 63 -4.474 -1.922 3.051 1.00 64.32 C ATOM 995 O PHE A 63 -3.423 -2.467 3.384 1.00 3.44 O ATOM 996 CB PHE A 63 -6.355 -3.261 2.034 1.00 24.33 C ATOM 997 CG PHE A 63 -7.247 -3.489 0.837 1.00 3.34 C ATOM 998 CD1 PHE A 63 -6.902 -4.413 -0.139 1.00 23.44 C ATOM 999 CD2 PHE A 63 -8.425 -2.771 0.685 1.00 22.45 C ATOM 1000 CE1 PHE A 63 -7.717 -4.619 -1.238 1.00 11.05 C ATOM 1001 CE2 PHE A 63 -9.240 -2.973 -0.412 1.00 42.42 C ATOM 1002 CZ PHE A 63 -8.886 -3.896 -1.375 1.00 70.31 C ATOM 0 H PHE A 63 -3.987 -3.898 1.035 1.00 50.24 H new ATOM 0 HA PHE A 63 -5.571 -1.405 1.288 1.00 43.53 H new ATOM 0 HB2 PHE A 63 -5.964 -4.220 2.375 1.00 24.33 H new ATOM 0 HB3 PHE A 63 -6.951 -2.852 2.850 1.00 24.33 H new ATOM 0 HD1 PHE A 63 -5.987 -4.978 -0.040 1.00 23.44 H new ATOM 0 HD2 PHE A 63 -8.708 -2.046 1.433 1.00 22.45 H new ATOM 0 HE1 PHE A 63 -7.439 -5.345 -1.988 1.00 11.05 H new ATOM 0 HE2 PHE A 63 -10.155 -2.408 -0.516 1.00 42.42 H new ATOM 0 HZ PHE A 63 -9.522 -4.053 -2.234 1.00 70.31 H new ATOM 1012 N ARG A 64 -5.063 -0.994 3.800 1.00 23.23 N ATOM 1013 CA ARG A 64 -4.394 -0.411 4.974 1.00 43.22 C ATOM 1014 C ARG A 64 -4.918 -1.001 6.295 1.00 14.34 C ATOM 1015 O ARG A 64 -6.123 -1.134 6.497 1.00 74.51 O ATOM 1016 CB ARG A 64 -4.573 1.121 4.958 1.00 43.02 C ATOM 1017 CG ARG A 64 -3.627 1.894 5.887 1.00 35.12 C ATOM 1018 CD ARG A 64 -4.100 1.940 7.344 1.00 22.43 C ATOM 1019 NE ARG A 64 -5.403 2.590 7.499 1.00 3.22 N ATOM 1020 CZ ARG A 64 -5.617 3.870 7.331 1.00 24.10 C ATOM 1021 NH1 ARG A 64 -4.654 4.661 6.975 1.00 3.13 N ATOM 1022 NH2 ARG A 64 -6.798 4.357 7.533 1.00 55.42 N ATOM 0 H ARG A 64 -5.998 -0.627 3.622 1.00 23.23 H new ATOM 0 HA ARG A 64 -3.334 -0.659 4.915 1.00 43.22 H new ATOM 0 HB2 ARG A 64 -4.429 1.478 3.938 1.00 43.02 H new ATOM 0 HB3 ARG A 64 -5.601 1.355 5.235 1.00 43.02 H new ATOM 0 HG2 ARG A 64 -2.639 1.435 5.849 1.00 35.12 H new ATOM 0 HG3 ARG A 64 -3.520 2.913 5.516 1.00 35.12 H new ATOM 0 HD2 ARG A 64 -4.158 0.924 7.734 1.00 22.43 H new ATOM 0 HD3 ARG A 64 -3.361 2.471 7.944 1.00 22.43 H new ATOM 0 HE ARG A 64 -6.198 2.005 7.755 1.00 3.22 H new ATOM 0 HH11 ARG A 64 -3.717 4.288 6.823 1.00 3.13 H new ATOM 0 HH12 ARG A 64 -4.833 5.657 6.847 1.00 3.13 H new ATOM 0 HH21 ARG A 64 -7.560 3.744 7.823 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -6.968 5.354 7.403 1.00 55.42 H new ATOM 1036 N ILE A 65 -3.997 -1.348 7.193 1.00 73.55 N ATOM 1037 CA ILE A 65 -4.362 -1.788 8.545 1.00 13.22 C ATOM 1038 C ILE A 65 -3.959 -0.728 9.578 1.00 40.44 C ATOM 1039 O ILE A 65 -2.828 -0.242 9.572 1.00 22.13 O ATOM 1040 CB ILE A 65 -3.685 -3.131 8.909 1.00 70.35 C ATOM 1041 CG1 ILE A 65 -4.008 -4.192 7.844 1.00 44.00 C ATOM 1042 CG2 ILE A 65 -4.130 -3.596 10.298 1.00 24.52 C ATOM 1043 CD1 ILE A 65 -3.345 -5.533 8.088 1.00 11.23 C ATOM 0 H ILE A 65 -2.993 -1.334 7.012 1.00 73.55 H new ATOM 0 HA ILE A 65 -5.443 -1.928 8.559 1.00 13.22 H new ATOM 0 HB ILE A 65 -2.605 -2.986 8.933 1.00 70.35 H new ATOM 0 HG12 ILE A 65 -5.088 -4.334 7.804 1.00 44.00 H new ATOM 0 HG13 ILE A 65 -3.699 -3.818 6.868 1.00 44.00 H new ATOM 0 HG21 ILE A 65 -3.644 -4.542 10.538 1.00 24.52 H new ATOM 0 HG22 ILE A 65 -3.851 -2.847 11.039 1.00 24.52 H new ATOM 0 HG23 ILE A 65 -5.212 -3.731 10.307 1.00 24.52 H new ATOM 0 HD11 ILE A 65 -3.622 -6.226 7.294 1.00 11.23 H new ATOM 0 HD12 ILE A 65 -2.262 -5.407 8.098 1.00 11.23 H new ATOM 0 HD13 ILE A 65 -3.673 -5.932 9.048 1.00 11.23 H new ATOM 1055 N GLU A 66 -4.892 -0.361 10.448 1.00 13.21 N ATOM 1056 CA GLU A 66 -4.632 0.632 11.495 1.00 52.01 C ATOM 1057 C GLU A 66 -5.057 0.097 12.868 1.00 34.13 C ATOM 1058 O GLU A 66 -6.054 -0.624 12.977 1.00 0.10 O ATOM 1059 CB GLU A 66 -5.363 1.946 11.182 1.00 62.24 C ATOM 1060 CG GLU A 66 -6.881 1.810 11.083 1.00 12.25 C ATOM 1061 CD GLU A 66 -7.570 3.138 10.814 1.00 34.33 C ATOM 1062 OE1 GLU A 66 -7.610 3.985 11.734 1.00 0.44 O ATOM 1063 OE2 GLU A 66 -8.074 3.344 9.689 1.00 45.41 O ATOM 0 H GLU A 66 -5.841 -0.735 10.453 1.00 13.21 H new ATOM 0 HA GLU A 66 -3.560 0.828 11.521 1.00 52.01 H new ATOM 0 HB2 GLU A 66 -5.125 2.675 11.957 1.00 62.24 H new ATOM 0 HB3 GLU A 66 -4.983 2.345 10.241 1.00 62.24 H new ATOM 0 HG2 GLU A 66 -7.128 1.109 10.286 1.00 12.25 H new ATOM 0 HG3 GLU A 66 -7.266 1.387 12.011 1.00 12.25 H new ATOM 1070 N ASP A 67 -4.292 0.442 13.905 1.00 2.32 N ATOM 1071 CA ASP A 67 -4.542 -0.046 15.268 1.00 1.14 C ATOM 1072 C ASP A 67 -4.406 -1.581 15.340 1.00 72.31 C ATOM 1073 O ASP A 67 -3.380 -2.108 15.774 1.00 33.15 O ATOM 1074 CB ASP A 67 -5.933 0.406 15.754 1.00 22.25 C ATOM 1075 CG ASP A 67 -6.335 -0.217 17.079 1.00 62.43 C ATOM 1076 OD1 ASP A 67 -5.715 0.106 18.109 1.00 42.43 O ATOM 1077 OD2 ASP A 67 -7.271 -1.042 17.092 1.00 54.20 O ATOM 0 H ASP A 67 -3.486 1.063 13.828 1.00 2.32 H new ATOM 0 HA ASP A 67 -3.790 0.385 15.929 1.00 1.14 H new ATOM 0 HB2 ASP A 67 -5.941 1.491 15.853 1.00 22.25 H new ATOM 0 HB3 ASP A 67 -6.676 0.149 14.999 1.00 22.25 H new ATOM 1082 N SER A 68 -5.451 -2.283 14.912 1.00 75.22 N ATOM 1083 CA SER A 68 -5.464 -3.754 14.864 1.00 12.04 C ATOM 1084 C SER A 68 -6.529 -4.239 13.873 1.00 24.44 C ATOM 1085 O SER A 68 -6.866 -5.422 13.831 1.00 34.01 O ATOM 1086 CB SER A 68 -5.765 -4.349 16.254 1.00 75.13 C ATOM 1087 OG SER A 68 -4.767 -4.009 17.211 1.00 44.44 O ATOM 0 H SER A 68 -6.317 -1.854 14.587 1.00 75.22 H new ATOM 0 HA SER A 68 -4.477 -4.087 14.541 1.00 12.04 H new ATOM 0 HB2 SER A 68 -6.735 -3.990 16.599 1.00 75.13 H new ATOM 0 HB3 SER A 68 -5.836 -5.434 16.176 1.00 75.13 H new ATOM 0 HG SER A 68 -4.093 -3.434 16.791 1.00 44.44 H new ATOM 1093 N ILE A 69 -7.041 -3.317 13.061 1.00 73.14 N ATOM 1094 CA ILE A 69 -8.208 -3.582 12.214 1.00 61.24 C ATOM 1095 C ILE A 69 -7.857 -3.491 10.718 1.00 34.42 C ATOM 1096 O ILE A 69 -7.289 -2.494 10.264 1.00 63.23 O ATOM 1097 CB ILE A 69 -9.347 -2.576 12.526 1.00 22.31 C ATOM 1098 CG1 ILE A 69 -9.644 -2.543 14.038 1.00 35.51 C ATOM 1099 CG2 ILE A 69 -10.607 -2.913 11.732 1.00 62.23 C ATOM 1100 CD1 ILE A 69 -10.038 -3.882 14.629 1.00 11.02 C ATOM 0 H ILE A 69 -6.665 -2.373 12.970 1.00 73.14 H new ATOM 0 HA ILE A 69 -8.539 -4.597 12.435 1.00 61.24 H new ATOM 0 HB ILE A 69 -9.015 -1.583 12.222 1.00 22.31 H new ATOM 0 HG12 ILE A 69 -8.762 -2.174 14.561 1.00 35.51 H new ATOM 0 HG13 ILE A 69 -10.446 -1.828 14.223 1.00 35.51 H new ATOM 0 HG21 ILE A 69 -11.390 -2.193 11.969 1.00 62.23 H new ATOM 0 HG22 ILE A 69 -10.387 -2.872 10.665 1.00 62.23 H new ATOM 0 HG23 ILE A 69 -10.945 -3.916 11.994 1.00 62.23 H new ATOM 0 HD11 ILE A 69 -10.229 -3.767 15.696 1.00 11.02 H new ATOM 0 HD12 ILE A 69 -10.940 -4.246 14.136 1.00 11.02 H new ATOM 0 HD13 ILE A 69 -9.229 -4.598 14.480 1.00 11.02 H new ATOM 1112 N PRO A 70 -8.183 -4.537 9.934 1.00 12.20 N ATOM 1113 CA PRO A 70 -7.986 -4.523 8.476 1.00 3.23 C ATOM 1114 C PRO A 70 -9.052 -3.688 7.742 1.00 50.13 C ATOM 1115 O PRO A 70 -10.201 -4.115 7.587 1.00 31.15 O ATOM 1116 CB PRO A 70 -8.094 -6.006 8.104 1.00 3.34 C ATOM 1117 CG PRO A 70 -9.007 -6.590 9.133 1.00 0.44 C ATOM 1118 CD PRO A 70 -8.752 -5.819 10.405 1.00 0.53 C ATOM 0 HA PRO A 70 -7.040 -4.064 8.189 1.00 3.23 H new ATOM 0 HB2 PRO A 70 -8.497 -6.134 7.099 1.00 3.34 H new ATOM 0 HB3 PRO A 70 -7.118 -6.490 8.120 1.00 3.34 H new ATOM 0 HG2 PRO A 70 -10.049 -6.501 8.825 1.00 0.44 H new ATOM 0 HG3 PRO A 70 -8.806 -7.652 9.274 1.00 0.44 H new ATOM 0 HD2 PRO A 70 -9.671 -5.665 10.970 1.00 0.53 H new ATOM 0 HD3 PRO A 70 -8.059 -6.347 11.061 1.00 0.53 H new ATOM 1126 N VAL A 71 -8.671 -2.491 7.304 1.00 4.10 N ATOM 1127 CA VAL A 71 -9.591 -1.594 6.594 1.00 41.03 C ATOM 1128 C VAL A 71 -9.720 -2.001 5.116 1.00 13.03 C ATOM 1129 O VAL A 71 -8.784 -1.836 4.332 1.00 12.35 O ATOM 1130 CB VAL A 71 -9.120 -0.121 6.689 1.00 31.20 C ATOM 1131 CG1 VAL A 71 -10.157 0.827 6.094 1.00 21.40 C ATOM 1132 CG2 VAL A 71 -8.811 0.250 8.141 1.00 13.23 C ATOM 0 H VAL A 71 -7.731 -2.115 7.426 1.00 4.10 H new ATOM 0 HA VAL A 71 -10.566 -1.681 7.073 1.00 41.03 H new ATOM 0 HB VAL A 71 -8.205 -0.019 6.106 1.00 31.20 H new ATOM 0 HG11 VAL A 71 -9.800 1.854 6.174 1.00 21.40 H new ATOM 0 HG12 VAL A 71 -10.317 0.579 5.045 1.00 21.40 H new ATOM 0 HG13 VAL A 71 -11.096 0.726 6.637 1.00 21.40 H new ATOM 0 HG21 VAL A 71 -8.482 1.288 8.189 1.00 13.23 H new ATOM 0 HG22 VAL A 71 -9.708 0.126 8.747 1.00 13.23 H new ATOM 0 HG23 VAL A 71 -8.023 -0.399 8.522 1.00 13.23 H new ATOM 1142 N LEU A 72 -10.885 -2.531 4.739 1.00 34.25 N ATOM 1143 CA LEU A 72 -11.094 -3.069 3.387 1.00 11.33 C ATOM 1144 C LEU A 72 -11.811 -2.064 2.473 1.00 73.41 C ATOM 1145 O LEU A 72 -12.328 -2.433 1.413 1.00 52.54 O ATOM 1146 CB LEU A 72 -11.899 -4.373 3.461 1.00 62.14 C ATOM 1147 CG LEU A 72 -11.337 -5.442 4.416 1.00 34.23 C ATOM 1148 CD1 LEU A 72 -12.117 -6.745 4.283 1.00 54.44 C ATOM 1149 CD2 LEU A 72 -9.848 -5.674 4.170 1.00 13.03 C ATOM 0 H LEU A 72 -11.700 -2.601 5.348 1.00 34.25 H new ATOM 0 HA LEU A 72 -10.112 -3.266 2.956 1.00 11.33 H new ATOM 0 HB2 LEU A 72 -12.917 -4.135 3.768 1.00 62.14 H new ATOM 0 HB3 LEU A 72 -11.960 -4.800 2.460 1.00 62.14 H new ATOM 0 HG LEU A 72 -11.453 -5.075 5.436 1.00 34.23 H new ATOM 0 HD11 LEU A 72 -11.704 -7.487 4.966 1.00 54.44 H new ATOM 0 HD12 LEU A 72 -13.164 -6.569 4.528 1.00 54.44 H new ATOM 0 HD13 LEU A 72 -12.041 -7.112 3.259 1.00 54.44 H new ATOM 0 HD21 LEU A 72 -9.479 -6.434 4.859 1.00 13.03 H new ATOM 0 HD22 LEU A 72 -9.697 -6.010 3.144 1.00 13.03 H new ATOM 0 HD23 LEU A 72 -9.303 -4.744 4.331 1.00 13.03 H new ATOM 1161 N LEU A 73 -11.837 -0.797 2.879 1.00 35.15 N ATOM 1162 CA LEU A 73 -12.452 0.259 2.070 1.00 73.34 C ATOM 1163 C LEU A 73 -11.669 0.478 0.761 1.00 45.31 C ATOM 1164 O LEU A 73 -10.459 0.705 0.789 1.00 71.10 O ATOM 1165 CB LEU A 73 -12.525 1.572 2.863 1.00 75.34 C ATOM 1166 CG LEU A 73 -13.380 1.523 4.140 1.00 43.21 C ATOM 1167 CD1 LEU A 73 -13.369 2.873 4.850 1.00 65.43 C ATOM 1168 CD2 LEU A 73 -14.811 1.095 3.815 1.00 3.40 C ATOM 0 H LEU A 73 -11.441 -0.474 3.762 1.00 35.15 H new ATOM 0 HA LEU A 73 -13.464 -0.059 1.818 1.00 73.34 H new ATOM 0 HB2 LEU A 73 -11.512 1.869 3.135 1.00 75.34 H new ATOM 0 HB3 LEU A 73 -12.921 2.350 2.210 1.00 75.34 H new ATOM 0 HG LEU A 73 -12.946 0.782 4.812 1.00 43.21 H new ATOM 0 HD11 LEU A 73 -13.980 2.815 5.751 1.00 65.43 H new ATOM 0 HD12 LEU A 73 -12.346 3.133 5.122 1.00 65.43 H new ATOM 0 HD13 LEU A 73 -13.773 3.637 4.186 1.00 65.43 H new ATOM 0 HD21 LEU A 73 -15.399 1.067 4.732 1.00 3.40 H new ATOM 0 HD22 LEU A 73 -15.255 1.808 3.121 1.00 3.40 H new ATOM 0 HD23 LEU A 73 -14.800 0.105 3.360 1.00 3.40 H new ATOM 1180 N PRO A 74 -12.355 0.434 -0.403 1.00 41.31 N ATOM 1181 CA PRO A 74 -11.702 0.574 -1.721 1.00 13.22 C ATOM 1182 C PRO A 74 -10.914 1.887 -1.848 1.00 72.33 C ATOM 1183 O PRO A 74 -9.929 1.963 -2.579 1.00 45.03 O ATOM 1184 CB PRO A 74 -12.878 0.540 -2.720 1.00 71.24 C ATOM 1185 CG PRO A 74 -14.091 0.832 -1.900 1.00 25.33 C ATOM 1186 CD PRO A 74 -13.814 0.262 -0.535 1.00 70.34 C ATOM 0 HA PRO A 74 -10.966 -0.211 -1.894 1.00 13.22 H new ATOM 0 HB2 PRO A 74 -12.747 1.281 -3.509 1.00 71.24 H new ATOM 0 HB3 PRO A 74 -12.955 -0.433 -3.206 1.00 71.24 H new ATOM 0 HG2 PRO A 74 -14.276 1.905 -1.845 1.00 25.33 H new ATOM 0 HG3 PRO A 74 -14.979 0.378 -2.340 1.00 25.33 H new ATOM 0 HD2 PRO A 74 -14.357 0.796 0.245 1.00 70.34 H new ATOM 0 HD3 PRO A 74 -14.106 -0.786 -0.467 1.00 70.34 H new ATOM 1194 N GLU A 75 -11.357 2.909 -1.121 1.00 53.01 N ATOM 1195 CA GLU A 75 -10.677 4.209 -1.091 1.00 24.14 C ATOM 1196 C GLU A 75 -9.236 4.069 -0.575 1.00 41.32 C ATOM 1197 O GLU A 75 -8.320 4.727 -1.066 1.00 64.22 O ATOM 1198 CB GLU A 75 -11.458 5.175 -0.189 1.00 0.01 C ATOM 1199 CG GLU A 75 -12.946 5.266 -0.516 1.00 23.41 C ATOM 1200 CD GLU A 75 -13.223 5.865 -1.887 1.00 72.24 C ATOM 1201 OE1 GLU A 75 -13.245 7.112 -1.996 1.00 32.25 O ATOM 1202 OE2 GLU A 75 -13.431 5.097 -2.850 1.00 60.24 O ATOM 0 H GLU A 75 -12.193 2.864 -0.538 1.00 53.01 H new ATOM 0 HA GLU A 75 -10.638 4.601 -2.108 1.00 24.14 H new ATOM 0 HB2 GLU A 75 -11.343 4.860 0.848 1.00 0.01 H new ATOM 0 HB3 GLU A 75 -11.017 6.169 -0.271 1.00 0.01 H new ATOM 0 HG2 GLU A 75 -13.384 4.269 -0.467 1.00 23.41 H new ATOM 0 HG3 GLU A 75 -13.442 5.870 0.244 1.00 23.41 H new ATOM 1209 N GLU A 76 -9.051 3.183 0.405 1.00 22.13 N ATOM 1210 CA GLU A 76 -7.744 2.965 1.041 1.00 40.53 C ATOM 1211 C GLU A 76 -6.776 2.176 0.141 1.00 64.30 C ATOM 1212 O GLU A 76 -5.574 2.106 0.425 1.00 13.51 O ATOM 1213 CB GLU A 76 -7.925 2.202 2.366 1.00 1.25 C ATOM 1214 CG GLU A 76 -8.714 2.956 3.435 1.00 51.10 C ATOM 1215 CD GLU A 76 -8.002 4.208 3.931 1.00 31.24 C ATOM 1216 OE1 GLU A 76 -6.904 4.086 4.513 1.00 42.24 O ATOM 1217 OE2 GLU A 76 -8.543 5.319 3.754 1.00 25.13 O ATOM 0 H GLU A 76 -9.797 2.597 0.781 1.00 22.13 H new ATOM 0 HA GLU A 76 -7.311 3.949 1.220 1.00 40.53 H new ATOM 0 HB2 GLU A 76 -8.430 1.258 2.160 1.00 1.25 H new ATOM 0 HB3 GLU A 76 -6.941 1.957 2.766 1.00 1.25 H new ATOM 0 HG2 GLU A 76 -9.687 3.235 3.031 1.00 51.10 H new ATOM 0 HG3 GLU A 76 -8.898 2.291 4.279 1.00 51.10 H new ATOM 1224 N ALA A 77 -7.297 1.593 -0.939 1.00 41.42 N ATOM 1225 CA ALA A 77 -6.509 0.708 -1.808 1.00 71.33 C ATOM 1226 C ALA A 77 -5.359 1.437 -2.522 1.00 55.33 C ATOM 1227 O ALA A 77 -5.522 2.550 -3.026 1.00 72.52 O ATOM 1228 CB ALA A 77 -7.419 0.032 -2.832 1.00 13.20 C ATOM 0 H ALA A 77 -8.265 1.716 -1.237 1.00 41.42 H new ATOM 0 HA ALA A 77 -6.054 -0.044 -1.164 1.00 71.33 H new ATOM 0 HB1 ALA A 77 -6.825 -0.622 -3.471 1.00 13.20 H new ATOM 0 HB2 ALA A 77 -8.176 -0.557 -2.314 1.00 13.20 H new ATOM 0 HB3 ALA A 77 -7.906 0.792 -3.443 1.00 13.20 H new ATOM 1234 N ILE A 78 -4.192 0.793 -2.552 1.00 25.10 N ATOM 1235 CA ILE A 78 -3.013 1.315 -3.257 1.00 31.54 C ATOM 1236 C ILE A 78 -2.680 0.461 -4.490 1.00 24.31 C ATOM 1237 O ILE A 78 -2.560 -0.759 -4.394 1.00 12.15 O ATOM 1238 CB ILE A 78 -1.769 1.350 -2.326 1.00 31.23 C ATOM 1239 CG1 ILE A 78 -2.014 2.299 -1.145 1.00 53.43 C ATOM 1240 CG2 ILE A 78 -0.510 1.760 -3.098 1.00 74.15 C ATOM 1241 CD1 ILE A 78 -2.303 3.726 -1.563 1.00 2.04 C ATOM 0 H ILE A 78 -4.034 -0.103 -2.091 1.00 25.10 H new ATOM 0 HA ILE A 78 -3.258 2.329 -3.572 1.00 31.54 H new ATOM 0 HB ILE A 78 -1.608 0.344 -1.938 1.00 31.23 H new ATOM 0 HG12 ILE A 78 -2.852 1.925 -0.557 1.00 53.43 H new ATOM 0 HG13 ILE A 78 -1.139 2.290 -0.495 1.00 53.43 H new ATOM 0 HG21 ILE A 78 0.343 1.776 -2.420 1.00 74.15 H new ATOM 0 HG22 ILE A 78 -0.325 1.044 -3.899 1.00 74.15 H new ATOM 0 HG23 ILE A 78 -0.652 2.753 -3.525 1.00 74.15 H new ATOM 0 HD11 ILE A 78 -2.466 4.339 -0.676 1.00 2.04 H new ATOM 0 HD12 ILE A 78 -1.456 4.119 -2.125 1.00 2.04 H new ATOM 0 HD13 ILE A 78 -3.196 3.748 -2.188 1.00 2.04 H new ATOM 1253 N ALA A 79 -2.530 1.111 -5.644 1.00 35.50 N ATOM 1254 CA ALA A 79 -2.140 0.419 -6.878 1.00 75.34 C ATOM 1255 C ALA A 79 -0.619 0.194 -6.933 1.00 45.12 C ATOM 1256 O ALA A 79 0.151 1.133 -7.137 1.00 22.41 O ATOM 1257 CB ALA A 79 -2.607 1.217 -8.094 1.00 10.40 C ATOM 0 H ALA A 79 -2.672 2.115 -5.753 1.00 35.50 H new ATOM 0 HA ALA A 79 -2.621 -0.559 -6.888 1.00 75.34 H new ATOM 0 HB1 ALA A 79 -2.313 0.696 -9.006 1.00 10.40 H new ATOM 0 HB2 ALA A 79 -3.692 1.319 -8.068 1.00 10.40 H new ATOM 0 HB3 ALA A 79 -2.149 2.206 -8.078 1.00 10.40 H new ATOM 1263 N THR A 80 -0.192 -1.053 -6.759 1.00 44.35 N ATOM 1264 CA THR A 80 1.244 -1.390 -6.713 1.00 41.13 C ATOM 1265 C THR A 80 1.977 -1.020 -8.008 1.00 23.31 C ATOM 1266 O THR A 80 3.201 -0.869 -8.019 1.00 73.21 O ATOM 1267 CB THR A 80 1.461 -2.897 -6.469 1.00 72.03 C ATOM 1268 OG1 THR A 80 0.985 -3.640 -7.600 1.00 13.43 O ATOM 1269 CG2 THR A 80 0.736 -3.361 -5.208 1.00 11.31 C ATOM 0 H THR A 80 -0.813 -1.854 -6.647 1.00 44.35 H new ATOM 0 HA THR A 80 1.652 -0.806 -5.888 1.00 41.13 H new ATOM 0 HB THR A 80 2.528 -3.072 -6.333 1.00 72.03 H new ATOM 0 HG1 THR A 80 0.912 -4.588 -7.361 1.00 13.43 H new ATOM 0 HG21 THR A 80 0.907 -4.427 -5.062 1.00 11.31 H new ATOM 0 HG22 THR A 80 1.116 -2.811 -4.347 1.00 11.31 H new ATOM 0 HG23 THR A 80 -0.333 -3.176 -5.314 1.00 11.31 H new ATOM 1277 N ILE A 81 1.224 -0.862 -9.090 1.00 51.33 N ATOM 1278 CA ILE A 81 1.793 -0.553 -10.408 1.00 34.35 C ATOM 1279 C ILE A 81 2.571 0.779 -10.403 1.00 44.43 C ATOM 1280 O ILE A 81 3.500 0.971 -11.196 1.00 22.14 O ATOM 1281 CB ILE A 81 0.680 -0.507 -11.491 1.00 12.45 C ATOM 1282 CG1 ILE A 81 1.280 -0.359 -12.901 1.00 31.51 C ATOM 1283 CG2 ILE A 81 -0.308 0.624 -11.206 1.00 3.15 C ATOM 1284 CD1 ILE A 81 2.175 -1.510 -13.314 1.00 71.40 C ATOM 0 H ILE A 81 0.207 -0.943 -9.085 1.00 51.33 H new ATOM 0 HA ILE A 81 2.495 -1.352 -10.646 1.00 34.35 H new ATOM 0 HB ILE A 81 0.140 -1.453 -11.453 1.00 12.45 H new ATOM 0 HG12 ILE A 81 0.468 -0.267 -13.622 1.00 31.51 H new ATOM 0 HG13 ILE A 81 1.853 0.567 -12.946 1.00 31.51 H new ATOM 0 HG21 ILE A 81 -1.078 0.637 -11.977 1.00 3.15 H new ATOM 0 HG22 ILE A 81 -0.772 0.465 -10.232 1.00 3.15 H new ATOM 0 HG23 ILE A 81 0.221 1.577 -11.205 1.00 3.15 H new ATOM 0 HD11 ILE A 81 2.558 -1.331 -14.319 1.00 71.40 H new ATOM 0 HD12 ILE A 81 3.009 -1.591 -12.617 1.00 71.40 H new ATOM 0 HD13 ILE A 81 1.603 -2.438 -13.304 1.00 71.40 H new ATOM 1296 N GLN A 82 2.203 1.685 -9.498 1.00 44.41 N ATOM 1297 CA GLN A 82 2.893 2.979 -9.367 1.00 24.45 C ATOM 1298 C GLN A 82 4.138 2.858 -8.473 1.00 75.30 C ATOM 1299 O GLN A 82 5.097 3.622 -8.612 1.00 33.44 O ATOM 1300 CB GLN A 82 1.942 4.031 -8.776 1.00 21.43 C ATOM 1301 CG GLN A 82 1.595 3.778 -7.311 1.00 71.04 C ATOM 1302 CD GLN A 82 0.556 4.734 -6.754 1.00 34.43 C ATOM 1303 OE1 GLN A 82 0.455 5.881 -7.171 1.00 52.53 O ATOM 1304 NE2 GLN A 82 -0.222 4.266 -5.799 1.00 24.05 N ATOM 0 H GLN A 82 1.433 1.552 -8.843 1.00 44.41 H new ATOM 0 HA GLN A 82 3.209 3.289 -10.363 1.00 24.45 H new ATOM 0 HB2 GLN A 82 2.399 5.016 -8.869 1.00 21.43 H new ATOM 0 HB3 GLN A 82 1.023 4.049 -9.362 1.00 21.43 H new ATOM 0 HG2 GLN A 82 1.229 2.757 -7.205 1.00 71.04 H new ATOM 0 HG3 GLN A 82 2.503 3.855 -6.714 1.00 71.04 H new ATOM 0 HE21 GLN A 82 -0.111 3.305 -5.475 1.00 24.05 H new ATOM 0 HE22 GLN A 82 -0.936 4.865 -5.383 1.00 24.05 H new ATOM 1313 N ILE A 83 4.118 1.891 -7.558 1.00 45.21 N ATOM 1314 CA ILE A 83 5.196 1.725 -6.584 1.00 41.43 C ATOM 1315 C ILE A 83 6.443 1.107 -7.235 1.00 3.41 C ATOM 1316 O ILE A 83 6.507 -0.105 -7.455 1.00 51.32 O ATOM 1317 CB ILE A 83 4.750 0.840 -5.389 1.00 22.21 C ATOM 1318 CG1 ILE A 83 3.430 1.361 -4.789 1.00 3.22 C ATOM 1319 CG2 ILE A 83 5.841 0.787 -4.319 1.00 73.44 C ATOM 1320 CD1 ILE A 83 3.513 2.772 -4.243 1.00 15.32 C ATOM 0 H ILE A 83 3.365 1.208 -7.470 1.00 45.21 H new ATOM 0 HA ILE A 83 5.443 2.720 -6.213 1.00 41.43 H new ATOM 0 HB ILE A 83 4.583 -0.172 -5.759 1.00 22.21 H new ATOM 0 HG12 ILE A 83 2.656 1.324 -5.555 1.00 3.22 H new ATOM 0 HG13 ILE A 83 3.118 0.691 -3.988 1.00 3.22 H new ATOM 0 HG21 ILE A 83 5.508 0.162 -3.491 1.00 73.44 H new ATOM 0 HG22 ILE A 83 6.751 0.367 -4.748 1.00 73.44 H new ATOM 0 HG23 ILE A 83 6.043 1.794 -3.955 1.00 73.44 H new ATOM 0 HD11 ILE A 83 2.543 3.063 -3.839 1.00 15.32 H new ATOM 0 HD12 ILE A 83 4.262 2.813 -3.453 1.00 15.32 H new ATOM 0 HD13 ILE A 83 3.793 3.456 -5.044 1.00 15.32 H new ATOM 1332 N ALA A 84 7.421 1.949 -7.555 1.00 23.03 N ATOM 1333 CA ALA A 84 8.679 1.489 -8.156 1.00 34.31 C ATOM 1334 C ALA A 84 9.491 0.625 -7.182 1.00 72.53 C ATOM 1335 O ALA A 84 10.149 -0.335 -7.582 1.00 34.31 O ATOM 1336 CB ALA A 84 9.501 2.682 -8.623 1.00 34.44 C ATOM 0 H ALA A 84 7.371 2.957 -7.410 1.00 23.03 H new ATOM 0 HA ALA A 84 8.431 0.866 -9.016 1.00 34.31 H new ATOM 0 HB1 ALA A 84 10.432 2.331 -9.067 1.00 34.44 H new ATOM 0 HB2 ALA A 84 8.935 3.246 -9.365 1.00 34.44 H new ATOM 0 HB3 ALA A 84 9.725 3.325 -7.772 1.00 34.44 H new ATOM 1342 N ASN A 85 9.418 0.966 -5.902 1.00 1.12 N ATOM 1343 CA ASN A 85 10.160 0.251 -4.853 1.00 51.02 C ATOM 1344 C ASN A 85 9.583 -1.155 -4.603 1.00 54.42 C ATOM 1345 O ASN A 85 10.222 -1.993 -3.961 1.00 31.43 O ATOM 1346 CB ASN A 85 10.123 1.058 -3.549 1.00 30.14 C ATOM 1347 CG ASN A 85 10.500 2.512 -3.763 1.00 31.31 C ATOM 1348 OD1 ASN A 85 9.647 3.348 -4.043 1.00 22.52 O ATOM 1349 ND2 ASN A 85 11.771 2.827 -3.631 1.00 1.21 N ATOM 0 H ASN A 85 8.849 1.739 -5.556 1.00 1.12 H new ATOM 0 HA ASN A 85 11.189 0.138 -5.194 1.00 51.02 H new ATOM 0 HB2 ASN A 85 9.123 1.003 -3.118 1.00 30.14 H new ATOM 0 HB3 ASN A 85 10.806 0.610 -2.827 1.00 30.14 H new ATOM 0 HD21 ASN A 85 12.073 3.792 -3.762 1.00 1.21 H new ATOM 0 HD22 ASN A 85 12.454 2.106 -3.397 1.00 1.21 H new ATOM 1356 N PHE A 86 8.369 -1.400 -5.099 1.00 21.35 N ATOM 1357 CA PHE A 86 7.683 -2.679 -4.910 1.00 4.40 C ATOM 1358 C PHE A 86 8.480 -3.853 -5.512 1.00 40.34 C ATOM 1359 O PHE A 86 9.042 -3.734 -6.602 1.00 25.22 O ATOM 1360 CB PHE A 86 6.291 -2.609 -5.557 1.00 64.40 C ATOM 1361 CG PHE A 86 5.318 -3.620 -5.017 1.00 1.13 C ATOM 1362 CD1 PHE A 86 4.702 -3.399 -3.798 1.00 23.21 C ATOM 1363 CD2 PHE A 86 5.020 -4.780 -5.717 1.00 31.15 C ATOM 1364 CE1 PHE A 86 3.807 -4.315 -3.281 1.00 15.43 C ATOM 1365 CE2 PHE A 86 4.125 -5.702 -5.206 1.00 22.52 C ATOM 1366 CZ PHE A 86 3.518 -5.469 -3.985 1.00 21.43 C ATOM 0 H PHE A 86 7.836 -0.720 -5.641 1.00 21.35 H new ATOM 0 HA PHE A 86 7.592 -2.859 -3.839 1.00 4.40 H new ATOM 0 HB2 PHE A 86 5.882 -1.610 -5.409 1.00 64.40 H new ATOM 0 HB3 PHE A 86 6.393 -2.755 -6.632 1.00 64.40 H new ATOM 0 HD1 PHE A 86 4.924 -2.499 -3.244 1.00 23.21 H new ATOM 0 HD2 PHE A 86 5.492 -4.965 -6.671 1.00 31.15 H new ATOM 0 HE1 PHE A 86 3.334 -4.130 -2.328 1.00 15.43 H new ATOM 0 HE2 PHE A 86 3.900 -6.602 -5.759 1.00 22.52 H new ATOM 0 HZ PHE A 86 2.819 -6.188 -3.582 1.00 21.43 H new