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 Set 1.1: A 39 GLN : amide:sc= -0.378 K(o=0.7,f=-2.3!) USER MOD Set 1.2: A 82 GLN : amide:sc= 1.08 K(o=0.7,f=-2.3) 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+ -169:sc= -0.031 (180deg=-0.207) USER MOD Single : A 30 ASN : amide:sc= -2.46! C(o=-2.5!,f=-5.9!) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 1.09 (180deg=0.8) USER MOD Single : A 35 SER OG : rot -30:sc= 0.111 USER MOD Single : A 37 THR OG1 : rot -51:sc= 1.08 USER MOD Single : A 44 SER OG : rot 73:sc= 1.02 USER MOD Single : A 46 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.1!) USER MOD Single : A 47 ASN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.27) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 117:sc= 1.65 USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= 0.812 (180deg=-0.56!) USER MOD Single : A 61 GLN : amide:sc= -1.72 K(o=-1.7,f=0) USER MOD Single : A 68 SER OG : rot -37:sc= 0.978 USER MOD Single : A 80 THR OG1 : rot -152:sc= 0.593 USER MOD Single : A 85 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.457 -12.673 0.279 1.00 64.52 N ATOM 290 CA LEU A 18 -6.536 -11.624 0.736 1.00 45.51 C ATOM 291 C LEU A 18 -5.443 -12.214 1.640 1.00 63.25 C ATOM 292 O LEU A 18 -5.537 -13.359 2.087 1.00 14.13 O ATOM 293 CB LEU A 18 -7.310 -10.540 1.505 1.00 32.35 C ATOM 294 CG LEU A 18 -8.351 -9.757 0.686 1.00 45.13 C ATOM 295 CD1 LEU A 18 -9.152 -8.824 1.589 1.00 70.42 C ATOM 296 CD2 LEU A 18 -7.673 -8.967 -0.432 1.00 60.32 C ATOM 0 HA LEU A 18 -6.064 -11.180 -0.141 1.00 45.51 H new ATOM 0 HB2 LEU A 18 -7.817 -11.010 2.348 1.00 32.35 H new ATOM 0 HB3 LEU A 18 -6.592 -9.832 1.919 1.00 32.35 H new ATOM 0 HG LEU A 18 -9.038 -10.472 0.233 1.00 45.13 H new ATOM 0 HD11 LEU A 18 -9.883 -8.279 0.992 1.00 70.42 H new ATOM 0 HD12 LEU A 18 -9.669 -9.409 2.350 1.00 70.42 H new ATOM 0 HD13 LEU A 18 -8.477 -8.117 2.071 1.00 70.42 H new ATOM 0 HD21 LEU A 18 -8.426 -8.420 -1.000 1.00 60.32 H new ATOM 0 HD22 LEU A 18 -6.962 -8.263 -0.000 1.00 60.32 H new ATOM 0 HD23 LEU A 18 -7.147 -9.654 -1.095 1.00 60.32 H new ATOM 308 N SER A 19 -4.406 -11.430 1.906 1.00 65.41 N ATOM 309 CA SER A 19 -3.308 -11.860 2.786 1.00 35.13 C ATOM 310 C SER A 19 -2.642 -10.659 3.468 1.00 63.20 C ATOM 311 O SER A 19 -2.886 -9.511 3.101 1.00 42.33 O ATOM 312 CB SER A 19 -2.253 -12.650 1.990 1.00 34.45 C ATOM 313 OG SER A 19 -2.796 -13.842 1.432 1.00 25.35 O ATOM 0 H SER A 19 -4.295 -10.489 1.528 1.00 65.41 H new ATOM 0 HA SER A 19 -3.736 -12.504 3.554 1.00 35.13 H new ATOM 0 HB2 SER A 19 -1.855 -12.023 1.192 1.00 34.45 H new ATOM 0 HB3 SER A 19 -1.418 -12.902 2.644 1.00 34.45 H new ATOM 0 HG SER A 19 -2.099 -14.317 0.933 1.00 25.35 H new ATOM 319 N LEU A 20 -1.803 -10.931 4.463 1.00 20.23 N ATOM 320 CA LEU A 20 -1.057 -9.874 5.156 1.00 20.33 C ATOM 321 C LEU A 20 0.188 -9.500 4.334 1.00 1.34 C ATOM 322 O LEU A 20 0.994 -10.362 3.981 1.00 54.24 O ATOM 323 CB LEU A 20 -0.667 -10.352 6.576 1.00 40.20 C ATOM 324 CG LEU A 20 -0.327 -9.259 7.614 1.00 23.21 C ATOM 325 CD1 LEU A 20 0.967 -8.529 7.270 1.00 64.25 C ATOM 326 CD2 LEU A 20 -1.483 -8.266 7.758 1.00 73.24 C ATOM 0 H LEU A 20 -1.620 -11.872 4.811 1.00 20.23 H new ATOM 0 HA LEU A 20 -1.682 -8.986 5.257 1.00 20.33 H new ATOM 0 HB2 LEU A 20 -1.489 -10.950 6.970 1.00 40.20 H new ATOM 0 HB3 LEU A 20 0.194 -11.014 6.486 1.00 40.20 H new ATOM 0 HG LEU A 20 -0.176 -9.759 8.571 1.00 23.21 H new ATOM 0 HD11 LEU A 20 1.168 -7.769 8.025 1.00 64.25 H new ATOM 0 HD12 LEU A 20 1.791 -9.242 7.244 1.00 64.25 H new ATOM 0 HD13 LEU A 20 0.868 -8.053 6.294 1.00 64.25 H new ATOM 0 HD21 LEU A 20 -1.220 -7.506 8.494 1.00 73.24 H new ATOM 0 HD22 LEU A 20 -1.675 -7.789 6.797 1.00 73.24 H new ATOM 0 HD23 LEU A 20 -2.378 -8.795 8.086 1.00 73.24 H new ATOM 338 N LEU A 21 0.334 -8.212 4.023 1.00 14.30 N ATOM 339 CA LEU A 21 1.446 -7.736 3.192 1.00 41.15 C ATOM 340 C LEU A 21 2.802 -7.984 3.864 1.00 21.05 C ATOM 341 O LEU A 21 3.103 -7.418 4.918 1.00 42.54 O ATOM 342 CB LEU A 21 1.286 -6.246 2.861 1.00 22.32 C ATOM 343 CG LEU A 21 2.416 -5.636 2.008 1.00 71.13 C ATOM 344 CD1 LEU A 21 2.561 -6.370 0.674 1.00 45.50 C ATOM 345 CD2 LEU A 21 2.175 -4.146 1.779 1.00 34.15 C ATOM 0 H LEU A 21 -0.302 -7.478 4.333 1.00 14.30 H new ATOM 0 HA LEU A 21 1.420 -8.307 2.264 1.00 41.15 H new ATOM 0 HB2 LEU A 21 0.341 -6.107 2.336 1.00 22.32 H new ATOM 0 HB3 LEU A 21 1.217 -5.689 3.795 1.00 22.32 H new ATOM 0 HG LEU A 21 3.350 -5.754 2.558 1.00 71.13 H new ATOM 0 HD11 LEU A 21 3.366 -5.917 0.095 1.00 45.50 H new ATOM 0 HD12 LEU A 21 2.793 -7.419 0.859 1.00 45.50 H new ATOM 0 HD13 LEU A 21 1.627 -6.298 0.116 1.00 45.50 H new ATOM 0 HD21 LEU A 21 2.984 -3.735 1.175 1.00 34.15 H new ATOM 0 HD22 LEU A 21 1.227 -4.006 1.259 1.00 34.15 H new ATOM 0 HD23 LEU A 21 2.142 -3.631 2.739 1.00 34.15 H new ATOM 357 N GLU A 22 3.605 -8.841 3.242 1.00 13.23 N ATOM 358 CA GLU A 22 4.950 -9.158 3.729 1.00 71.32 C ATOM 359 C GLU A 22 5.789 -7.887 3.964 1.00 50.54 C ATOM 360 O GLU A 22 6.028 -7.108 3.038 1.00 23.34 O ATOM 361 CB GLU A 22 5.650 -10.087 2.721 1.00 14.44 C ATOM 362 CG GLU A 22 7.077 -10.477 3.105 1.00 11.42 C ATOM 363 CD GLU A 22 7.687 -11.484 2.141 1.00 21.24 C ATOM 364 OE1 GLU A 22 8.302 -11.065 1.133 1.00 23.44 O ATOM 365 OE2 GLU A 22 7.548 -12.702 2.381 1.00 10.11 O ATOM 0 H GLU A 22 3.346 -9.336 2.388 1.00 13.23 H new ATOM 0 HA GLU A 22 4.856 -9.662 4.691 1.00 71.32 H new ATOM 0 HB2 GLU A 22 5.056 -10.994 2.609 1.00 14.44 H new ATOM 0 HB3 GLU A 22 5.670 -9.597 1.748 1.00 14.44 H new ATOM 0 HG2 GLU A 22 7.699 -9.583 3.132 1.00 11.42 H new ATOM 0 HG3 GLU A 22 7.077 -10.896 4.111 1.00 11.42 H new ATOM 372 N SER A 23 6.236 -7.694 5.209 1.00 45.22 N ATOM 373 CA SER A 23 7.026 -6.509 5.594 1.00 24.41 C ATOM 374 C SER A 23 8.233 -6.291 4.671 1.00 3.24 C ATOM 375 O SER A 23 8.638 -5.152 4.429 1.00 3.04 O ATOM 376 CB SER A 23 7.493 -6.626 7.049 1.00 25.14 C ATOM 377 OG SER A 23 8.159 -7.860 7.278 1.00 64.41 O ATOM 0 H SER A 23 6.065 -8.345 5.975 1.00 45.22 H new ATOM 0 HA SER A 23 6.373 -5.642 5.492 1.00 24.41 H new ATOM 0 HB2 SER A 23 8.162 -5.799 7.286 1.00 25.14 H new ATOM 0 HB3 SER A 23 6.635 -6.543 7.717 1.00 25.14 H new ATOM 0 HG SER A 23 8.448 -7.907 8.213 1.00 64.41 H new ATOM 383 N LYS A 24 8.792 -7.382 4.152 1.00 1.42 N ATOM 384 CA LYS A 24 9.871 -7.307 3.157 1.00 51.34 C ATOM 385 C LYS A 24 9.469 -6.426 1.963 1.00 20.01 C ATOM 386 O LYS A 24 10.228 -5.558 1.535 1.00 34.31 O ATOM 387 CB LYS A 24 10.226 -8.717 2.663 1.00 42.34 C ATOM 388 CG LYS A 24 10.935 -9.584 3.699 1.00 52.14 C ATOM 389 CD LYS A 24 12.373 -9.123 3.930 1.00 44.55 C ATOM 390 CE LYS A 24 13.198 -9.190 2.645 1.00 74.30 C ATOM 391 NZ LYS A 24 13.207 -10.560 2.056 1.00 62.50 N ATOM 0 H LYS A 24 8.518 -8.332 4.402 1.00 1.42 H new ATOM 0 HA LYS A 24 10.740 -6.857 3.636 1.00 51.34 H new ATOM 0 HB2 LYS A 24 9.312 -9.221 2.349 1.00 42.34 H new ATOM 0 HB3 LYS A 24 10.861 -8.631 1.781 1.00 42.34 H new ATOM 0 HG2 LYS A 24 10.386 -9.550 4.640 1.00 52.14 H new ATOM 0 HG3 LYS A 24 10.934 -10.622 3.367 1.00 52.14 H new ATOM 0 HD2 LYS A 24 12.372 -8.101 4.309 1.00 44.55 H new ATOM 0 HD3 LYS A 24 12.837 -9.746 4.694 1.00 44.55 H new ATOM 0 HE2 LYS A 24 12.794 -8.486 1.918 1.00 74.30 H new ATOM 0 HE3 LYS A 24 14.221 -8.879 2.855 1.00 74.30 H new ATOM 0 HZ1 LYS A 24 13.920 -10.608 1.300 1.00 62.50 H new ATOM 0 HZ2 LYS A 24 13.439 -11.254 2.795 1.00 62.50 H new ATOM 0 HZ3 LYS A 24 12.269 -10.774 1.662 1.00 62.50 H new ATOM 405 N GLY A 25 8.282 -6.677 1.417 1.00 74.55 N ATOM 406 CA GLY A 25 7.751 -5.842 0.342 1.00 51.52 C ATOM 407 C GLY A 25 7.221 -4.500 0.846 1.00 73.01 C ATOM 408 O GLY A 25 7.264 -3.494 0.136 1.00 45.51 O ATOM 0 H GLY A 25 7.673 -7.446 1.698 1.00 74.55 H new ATOM 0 HA2 GLY A 25 8.534 -5.665 -0.396 1.00 51.52 H new ATOM 0 HA3 GLY A 25 6.949 -6.377 -0.166 1.00 51.52 H new ATOM 412 N LEU A 26 6.730 -4.490 2.085 1.00 72.35 N ATOM 413 CA LEU A 26 6.131 -3.291 2.688 1.00 22.13 C ATOM 414 C LEU A 26 7.104 -2.100 2.720 1.00 75.31 C ATOM 415 O LEU A 26 6.681 -0.944 2.616 1.00 5.33 O ATOM 416 CB LEU A 26 5.636 -3.602 4.108 1.00 34.10 C ATOM 417 CG LEU A 26 4.970 -2.432 4.849 1.00 44.45 C ATOM 418 CD1 LEU A 26 3.738 -1.936 4.093 1.00 65.01 C ATOM 419 CD2 LEU A 26 4.607 -2.843 6.275 1.00 4.45 C ATOM 0 H LEU A 26 6.734 -5.305 2.699 1.00 72.35 H new ATOM 0 HA LEU A 26 5.288 -3.004 2.059 1.00 22.13 H new ATOM 0 HB2 LEU A 26 4.925 -4.426 4.053 1.00 34.10 H new ATOM 0 HB3 LEU A 26 6.482 -3.950 4.701 1.00 34.10 H new ATOM 0 HG LEU A 26 5.682 -1.608 4.900 1.00 44.45 H new ATOM 0 HD11 LEU A 26 3.285 -1.108 4.638 1.00 65.01 H new ATOM 0 HD12 LEU A 26 4.032 -1.598 3.099 1.00 65.01 H new ATOM 0 HD13 LEU A 26 3.016 -2.748 4.001 1.00 65.01 H new ATOM 0 HD21 LEU A 26 4.136 -2.004 6.787 1.00 4.45 H new ATOM 0 HD22 LEU A 26 3.915 -3.685 6.246 1.00 4.45 H new ATOM 0 HD23 LEU A 26 5.510 -3.134 6.811 1.00 4.45 H new ATOM 431 N GLU A 27 8.406 -2.371 2.867 1.00 25.22 N ATOM 432 CA GLU A 27 9.408 -1.294 2.855 1.00 1.34 C ATOM 433 C GLU A 27 9.270 -0.441 1.582 1.00 52.45 C ATOM 434 O GLU A 27 9.501 0.766 1.605 1.00 11.14 O ATOM 435 CB GLU A 27 10.837 -1.852 2.950 1.00 22.22 C ATOM 436 CG GLU A 27 11.294 -2.607 1.705 1.00 44.24 C ATOM 437 CD GLU A 27 12.796 -2.833 1.677 1.00 74.34 C ATOM 438 OE1 GLU A 27 13.537 -1.884 1.337 1.00 41.21 O ATOM 439 OE2 GLU A 27 13.245 -3.962 1.964 1.00 4.23 O ATOM 0 H GLU A 27 8.788 -3.308 2.994 1.00 25.22 H new ATOM 0 HA GLU A 27 9.225 -0.670 3.729 1.00 1.34 H new ATOM 0 HB2 GLU A 27 11.526 -1.028 3.136 1.00 22.22 H new ATOM 0 HB3 GLU A 27 10.899 -2.519 3.810 1.00 22.22 H new ATOM 0 HG2 GLU A 27 10.785 -3.570 1.661 1.00 44.24 H new ATOM 0 HG3 GLU A 27 10.998 -2.049 0.817 1.00 44.24 H new ATOM 446 N ALA A 28 8.880 -1.084 0.479 1.00 22.32 N ATOM 447 CA ALA A 28 8.668 -0.396 -0.796 1.00 53.22 C ATOM 448 C ALA A 28 7.605 0.703 -0.668 1.00 1.44 C ATOM 449 O ALA A 28 7.794 1.820 -1.151 1.00 22.14 O ATOM 450 CB ALA A 28 8.272 -1.398 -1.874 1.00 74.33 C ATOM 0 H ALA A 28 8.704 -2.088 0.444 1.00 22.32 H new ATOM 0 HA ALA A 28 9.605 0.081 -1.082 1.00 53.22 H new ATOM 0 HB1 ALA A 28 8.117 -0.875 -2.818 1.00 74.33 H new ATOM 0 HB2 ALA A 28 9.065 -2.136 -1.994 1.00 74.33 H new ATOM 0 HB3 ALA A 28 7.350 -1.901 -1.582 1.00 74.33 H new ATOM 456 N LEU A 29 6.494 0.379 -0.005 1.00 33.51 N ATOM 457 CA LEU A 29 5.427 1.358 0.243 1.00 44.41 C ATOM 458 C LEU A 29 5.955 2.529 1.085 1.00 53.41 C ATOM 459 O LEU A 29 5.811 3.690 0.710 1.00 34.32 O ATOM 460 CB LEU A 29 4.223 0.706 0.955 1.00 5.02 C ATOM 461 CG LEU A 29 3.402 -0.303 0.124 1.00 12.13 C ATOM 462 CD1 LEU A 29 2.937 0.326 -1.187 1.00 22.25 C ATOM 463 CD2 LEU A 29 4.197 -1.581 -0.134 1.00 73.34 C ATOM 0 H LEU A 29 6.307 -0.551 0.370 1.00 33.51 H new ATOM 0 HA LEU A 29 5.093 1.734 -0.724 1.00 44.41 H new ATOM 0 HB2 LEU A 29 4.588 0.198 1.848 1.00 5.02 H new ATOM 0 HB3 LEU A 29 3.554 1.498 1.290 1.00 5.02 H new ATOM 0 HG LEU A 29 2.518 -0.573 0.702 1.00 12.13 H new ATOM 0 HD11 LEU A 29 2.360 -0.403 -1.756 1.00 22.25 H new ATOM 0 HD12 LEU A 29 2.314 1.194 -0.973 1.00 22.25 H new ATOM 0 HD13 LEU A 29 3.804 0.637 -1.769 1.00 22.25 H new ATOM 0 HD21 LEU A 29 3.593 -2.273 -0.721 1.00 73.34 H new ATOM 0 HD22 LEU A 29 5.108 -1.339 -0.682 1.00 73.34 H new ATOM 0 HD23 LEU A 29 4.458 -2.045 0.817 1.00 73.34 H new ATOM 475 N ASN A 30 6.589 2.203 2.212 1.00 23.31 N ATOM 476 CA ASN A 30 7.145 3.217 3.121 1.00 72.01 C ATOM 477 C ASN A 30 8.153 4.142 2.411 1.00 24.12 C ATOM 478 O ASN A 30 8.114 5.361 2.582 1.00 44.24 O ATOM 479 CB ASN A 30 7.810 2.541 4.328 1.00 51.41 C ATOM 480 CG ASN A 30 6.807 1.842 5.230 1.00 5.13 C ATOM 481 OD1 ASN A 30 6.268 2.438 6.156 1.00 35.22 O ATOM 482 ND2 ASN A 30 6.555 0.575 4.979 1.00 72.25 N ATOM 0 H ASN A 30 6.733 1.242 2.522 1.00 23.31 H new ATOM 0 HA ASN A 30 6.316 3.836 3.463 1.00 72.01 H new ATOM 0 HB2 ASN A 30 8.544 1.816 3.976 1.00 51.41 H new ATOM 0 HB3 ASN A 30 8.353 3.289 4.905 1.00 51.41 H new ATOM 0 HD21 ASN A 30 5.895 0.061 5.563 1.00 72.25 H new ATOM 0 HD22 ASN A 30 7.020 0.107 4.201 1.00 72.25 H new ATOM 489 N LYS A 31 9.047 3.559 1.614 1.00 52.11 N ATOM 490 CA LYS A 31 10.038 4.342 0.862 1.00 12.24 C ATOM 491 C LYS A 31 9.365 5.241 -0.182 1.00 64.25 C ATOM 492 O LYS A 31 9.774 6.382 -0.391 1.00 14.31 O ATOM 493 CB LYS A 31 11.056 3.410 0.186 1.00 4.44 C ATOM 494 CG LYS A 31 11.909 2.618 1.174 1.00 74.43 C ATOM 495 CD LYS A 31 12.940 1.734 0.472 1.00 2.52 C ATOM 496 CE LYS A 31 12.287 0.679 -0.414 1.00 55.12 C ATOM 497 NZ LYS A 31 13.285 -0.275 -0.965 1.00 73.04 N ATOM 0 H LYS A 31 9.109 2.551 1.470 1.00 52.11 H new ATOM 0 HA LYS A 31 10.562 4.984 1.570 1.00 12.24 H new ATOM 0 HB2 LYS A 31 10.524 2.713 -0.462 1.00 4.44 H new ATOM 0 HB3 LYS A 31 11.711 4.003 -0.453 1.00 4.44 H new ATOM 0 HG2 LYS A 31 12.422 3.309 1.843 1.00 74.43 H new ATOM 0 HG3 LYS A 31 11.262 1.996 1.793 1.00 74.43 H new ATOM 0 HD2 LYS A 31 13.598 2.357 -0.133 1.00 2.52 H new ATOM 0 HD3 LYS A 31 13.564 1.243 1.219 1.00 2.52 H new ATOM 0 HE2 LYS A 31 11.541 0.132 0.162 1.00 55.12 H new ATOM 0 HE3 LYS A 31 11.761 1.168 -1.234 1.00 55.12 H new ATOM 0 HZ1 LYS A 31 12.887 -0.749 -1.801 1.00 73.04 H new ATOM 0 HZ2 LYS A 31 14.146 0.242 -1.237 1.00 73.04 H new ATOM 0 HZ3 LYS A 31 13.521 -0.986 -0.243 1.00 73.04 H new ATOM 511 N ALA A 32 8.331 4.725 -0.833 1.00 25.12 N ATOM 512 CA ALA A 32 7.558 5.514 -1.798 1.00 42.42 C ATOM 513 C ALA A 32 6.758 6.631 -1.094 1.00 73.24 C ATOM 514 O ALA A 32 6.507 7.694 -1.673 1.00 5.42 O ATOM 515 CB ALA A 32 6.642 4.599 -2.596 1.00 50.54 C ATOM 0 H ALA A 32 8.004 3.766 -0.715 1.00 25.12 H new ATOM 0 HA ALA A 32 8.251 5.999 -2.486 1.00 42.42 H new ATOM 0 HB1 ALA A 32 6.070 5.190 -3.311 1.00 50.54 H new ATOM 0 HB2 ALA A 32 7.241 3.862 -3.131 1.00 50.54 H new ATOM 0 HB3 ALA A 32 5.958 4.088 -1.918 1.00 50.54 H new ATOM 521 N ILE A 33 6.358 6.378 0.151 1.00 54.00 N ATOM 522 CA ILE A 33 5.705 7.396 0.992 1.00 32.42 C ATOM 523 C ILE A 33 6.674 8.548 1.298 1.00 50.34 C ATOM 524 O ILE A 33 6.312 9.724 1.204 1.00 32.15 O ATOM 525 CB ILE A 33 5.190 6.783 2.325 1.00 31.43 C ATOM 526 CG1 ILE A 33 4.062 5.772 2.053 1.00 21.00 C ATOM 527 CG2 ILE A 33 4.712 7.875 3.284 1.00 61.12 C ATOM 528 CD1 ILE A 33 3.609 5.007 3.282 1.00 22.33 C ATOM 0 H ILE A 33 6.473 5.473 0.607 1.00 54.00 H new ATOM 0 HA ILE A 33 4.852 7.781 0.434 1.00 32.42 H new ATOM 0 HB ILE A 33 6.020 6.259 2.798 1.00 31.43 H new ATOM 0 HG12 ILE A 33 3.207 6.301 1.632 1.00 21.00 H new ATOM 0 HG13 ILE A 33 4.400 5.061 1.299 1.00 21.00 H new ATOM 0 HG21 ILE A 33 4.357 7.418 4.208 1.00 61.12 H new ATOM 0 HG22 ILE A 33 5.538 8.550 3.507 1.00 61.12 H new ATOM 0 HG23 ILE A 33 3.900 8.436 2.821 1.00 61.12 H new ATOM 0 HD11 ILE A 33 2.813 4.315 3.007 1.00 22.33 H new ATOM 0 HD12 ILE A 33 4.450 4.448 3.693 1.00 22.33 H new ATOM 0 HD13 ILE A 33 3.239 5.707 4.031 1.00 22.33 H new ATOM 540 N VAL A 34 7.909 8.201 1.657 1.00 71.13 N ATOM 541 CA VAL A 34 8.968 9.197 1.859 1.00 32.21 C ATOM 542 C VAL A 34 9.266 9.949 0.551 1.00 55.12 C ATOM 543 O VAL A 34 9.573 11.144 0.557 1.00 25.44 O ATOM 544 CB VAL A 34 10.268 8.535 2.386 1.00 13.42 C ATOM 545 CG1 VAL A 34 11.364 9.578 2.612 1.00 54.15 C ATOM 546 CG2 VAL A 34 9.988 7.760 3.671 1.00 63.44 C ATOM 0 H VAL A 34 8.204 7.238 1.815 1.00 71.13 H new ATOM 0 HA VAL A 34 8.611 9.907 2.605 1.00 32.21 H new ATOM 0 HB VAL A 34 10.623 7.835 1.629 1.00 13.42 H new ATOM 0 HG11 VAL A 34 12.264 9.086 2.981 1.00 54.15 H new ATOM 0 HG12 VAL A 34 11.586 10.082 1.671 1.00 54.15 H new ATOM 0 HG13 VAL A 34 11.024 10.310 3.344 1.00 54.15 H new ATOM 0 HG21 VAL A 34 10.910 7.302 4.028 1.00 63.44 H new ATOM 0 HG22 VAL A 34 9.604 8.441 4.430 1.00 63.44 H new ATOM 0 HG23 VAL A 34 9.249 6.983 3.474 1.00 63.44 H new ATOM 556 N SER A 35 9.164 9.238 -0.572 1.00 33.00 N ATOM 557 CA SER A 35 9.348 9.844 -1.902 1.00 33.14 C ATOM 558 C SER A 35 8.108 10.646 -2.336 1.00 23.12 C ATOM 559 O SER A 35 8.159 11.413 -3.297 1.00 11.51 O ATOM 560 CB SER A 35 9.651 8.756 -2.944 1.00 73.43 C ATOM 561 OG SER A 35 9.974 9.314 -4.213 1.00 42.21 O ATOM 0 H SER A 35 8.955 8.240 -0.593 1.00 33.00 H new ATOM 0 HA SER A 35 10.191 10.532 -1.836 1.00 33.14 H new ATOM 0 HB2 SER A 35 10.481 8.140 -2.596 1.00 73.43 H new ATOM 0 HB3 SER A 35 8.787 8.099 -3.045 1.00 73.43 H new ATOM 0 HG SER A 35 9.510 10.170 -4.322 1.00 42.21 H new ATOM 567 N GLY A 36 6.991 10.453 -1.628 1.00 21.42 N ATOM 568 CA GLY A 36 5.755 11.177 -1.935 1.00 1.22 C ATOM 569 C GLY A 36 5.137 10.798 -3.282 1.00 74.14 C ATOM 570 O GLY A 36 4.656 11.659 -4.020 1.00 63.11 O ATOM 0 H GLY A 36 6.918 9.806 -0.843 1.00 21.42 H new ATOM 0 HA2 GLY A 36 5.028 10.987 -1.146 1.00 1.22 H new ATOM 0 HA3 GLY A 36 5.960 12.247 -1.928 1.00 1.22 H new ATOM 574 N THR A 37 5.139 9.505 -3.601 1.00 55.31 N ATOM 575 CA THR A 37 4.600 9.020 -4.887 1.00 11.12 C ATOM 576 C THR A 37 3.553 7.905 -4.697 1.00 34.52 C ATOM 577 O THR A 37 3.225 7.175 -5.635 1.00 5.13 O ATOM 578 CB THR A 37 5.741 8.513 -5.809 1.00 71.32 C ATOM 579 OG1 THR A 37 5.216 8.055 -7.070 1.00 3.30 O ATOM 580 CG2 THR A 37 6.531 7.391 -5.142 1.00 20.04 C ATOM 0 H THR A 37 5.505 8.771 -2.995 1.00 55.31 H new ATOM 0 HA THR A 37 4.105 9.869 -5.358 1.00 11.12 H new ATOM 0 HB THR A 37 6.413 9.352 -5.989 1.00 71.32 H new ATOM 0 HG1 THR A 37 4.484 7.424 -6.910 1.00 3.30 H new ATOM 0 HG21 THR A 37 7.323 7.056 -5.811 1.00 20.04 H new ATOM 0 HG22 THR A 37 6.970 7.757 -4.214 1.00 20.04 H new ATOM 0 HG23 THR A 37 5.864 6.557 -4.923 1.00 20.04 H new ATOM 588 N VAL A 38 3.012 7.789 -3.486 1.00 71.24 N ATOM 589 CA VAL A 38 1.974 6.788 -3.191 1.00 2.25 C ATOM 590 C VAL A 38 0.570 7.410 -3.200 1.00 51.14 C ATOM 591 O VAL A 38 0.189 8.106 -2.259 1.00 70.14 O ATOM 592 CB VAL A 38 2.195 6.112 -1.814 1.00 1.10 C ATOM 593 CG1 VAL A 38 1.102 5.079 -1.530 1.00 22.44 C ATOM 594 CG2 VAL A 38 3.571 5.469 -1.745 1.00 53.45 C ATOM 0 H VAL A 38 3.271 8.372 -2.690 1.00 71.24 H new ATOM 0 HA VAL A 38 2.051 6.039 -3.979 1.00 2.25 H new ATOM 0 HB VAL A 38 2.139 6.884 -1.047 1.00 1.10 H new ATOM 0 HG11 VAL A 38 1.280 4.619 -0.558 1.00 22.44 H new ATOM 0 HG12 VAL A 38 0.129 5.570 -1.526 1.00 22.44 H new ATOM 0 HG13 VAL A 38 1.118 4.311 -2.303 1.00 22.44 H new ATOM 0 HG21 VAL A 38 3.705 5.000 -0.770 1.00 53.45 H new ATOM 0 HG22 VAL A 38 3.659 4.714 -2.526 1.00 53.45 H new ATOM 0 HG23 VAL A 38 4.337 6.231 -1.889 1.00 53.45 H new ATOM 604 N GLN A 39 -0.192 7.167 -4.262 1.00 51.21 N ATOM 605 CA GLN A 39 -1.596 7.586 -4.311 1.00 72.10 C ATOM 606 C GLN A 39 -2.533 6.377 -4.176 1.00 53.33 C ATOM 607 O GLN A 39 -2.322 5.331 -4.799 1.00 72.33 O ATOM 608 CB GLN A 39 -1.898 8.393 -5.596 1.00 54.31 C ATOM 609 CG GLN A 39 -1.531 7.700 -6.915 1.00 52.40 C ATOM 610 CD GLN A 39 -2.651 6.830 -7.478 1.00 52.24 C ATOM 611 OE1 GLN A 39 -3.828 7.091 -7.264 1.00 52.12 O ATOM 612 NE2 GLN A 39 -2.293 5.807 -8.227 1.00 0.42 N ATOM 0 H GLN A 39 0.134 6.684 -5.099 1.00 51.21 H new ATOM 0 HA GLN A 39 -1.778 8.246 -3.463 1.00 72.10 H new ATOM 0 HB2 GLN A 39 -2.962 8.629 -5.614 1.00 54.31 H new ATOM 0 HB3 GLN A 39 -1.362 9.341 -5.543 1.00 54.31 H new ATOM 0 HG2 GLN A 39 -1.265 8.457 -7.652 1.00 52.40 H new ATOM 0 HG3 GLN A 39 -0.646 7.083 -6.758 1.00 52.40 H new ATOM 0 HE21 GLN A 39 -1.304 5.614 -8.388 1.00 0.42 H new ATOM 0 HE22 GLN A 39 -3.004 5.208 -8.646 1.00 0.42 H new ATOM 621 N ARG A 40 -3.546 6.517 -3.329 1.00 52.32 N ATOM 622 CA ARG A 40 -4.546 5.467 -3.125 1.00 73.04 C ATOM 623 C ARG A 40 -5.528 5.399 -4.304 1.00 42.25 C ATOM 624 O ARG A 40 -5.509 6.259 -5.180 1.00 11.13 O ATOM 625 CB ARG A 40 -5.287 5.725 -1.806 1.00 51.24 C ATOM 626 CG ARG A 40 -4.453 5.390 -0.570 1.00 54.02 C ATOM 627 CD ARG A 40 -5.000 6.043 0.695 1.00 3.14 C ATOM 628 NE ARG A 40 -4.652 7.462 0.767 1.00 72.31 N ATOM 629 CZ ARG A 40 -5.173 8.307 1.619 1.00 53.42 C ATOM 630 NH1 ARG A 40 -6.140 7.949 2.406 1.00 1.12 N ATOM 631 NH2 ARG A 40 -4.730 9.522 1.675 1.00 50.33 N ATOM 0 H ARG A 40 -3.700 7.354 -2.766 1.00 52.32 H new ATOM 0 HA ARG A 40 -4.042 4.502 -3.070 1.00 73.04 H new ATOM 0 HB2 ARG A 40 -5.584 6.773 -1.763 1.00 51.24 H new ATOM 0 HB3 ARG A 40 -6.202 5.134 -1.790 1.00 51.24 H new ATOM 0 HG2 ARG A 40 -4.427 4.309 -0.435 1.00 54.02 H new ATOM 0 HG3 ARG A 40 -3.425 5.717 -0.729 1.00 54.02 H new ATOM 0 HD2 ARG A 40 -6.084 5.933 0.722 1.00 3.14 H new ATOM 0 HD3 ARG A 40 -4.606 5.527 1.570 1.00 3.14 H new ATOM 0 HE ARG A 40 -3.957 7.816 0.109 1.00 72.31 H new ATOM 0 HH11 ARG A 40 -6.504 6.997 2.366 1.00 1.12 H new ATOM 0 HH12 ARG A 40 -6.536 8.619 3.065 1.00 1.12 H new ATOM 0 HH21 ARG A 40 -3.976 9.819 1.056 1.00 50.33 H new ATOM 0 HH22 ARG A 40 -5.135 10.182 2.339 1.00 50.33 H new ATOM 645 N ALA A 41 -6.390 4.383 -4.320 1.00 21.31 N ATOM 646 CA ALA A 41 -7.352 4.195 -5.419 1.00 21.41 C ATOM 647 C ALA A 41 -8.182 5.463 -5.684 1.00 23.02 C ATOM 648 O ALA A 41 -8.564 5.743 -6.823 1.00 2.21 O ATOM 649 CB ALA A 41 -8.264 3.012 -5.124 1.00 20.31 C ATOM 0 H ALA A 41 -6.446 3.675 -3.588 1.00 21.31 H new ATOM 0 HA ALA A 41 -6.780 3.989 -6.324 1.00 21.41 H new ATOM 0 HB1 ALA A 41 -8.970 2.884 -5.944 1.00 20.31 H new ATOM 0 HB2 ALA A 41 -7.664 2.108 -5.017 1.00 20.31 H new ATOM 0 HB3 ALA A 41 -8.811 3.196 -4.199 1.00 20.31 H new ATOM 655 N ASP A 42 -8.458 6.224 -4.626 1.00 3.54 N ATOM 656 CA ASP A 42 -9.131 7.522 -4.755 1.00 14.42 C ATOM 657 C ASP A 42 -8.235 8.553 -5.472 1.00 62.22 C ATOM 658 O ASP A 42 -8.713 9.379 -6.254 1.00 74.21 O ATOM 659 CB ASP A 42 -9.518 8.038 -3.362 1.00 3.42 C ATOM 660 CG ASP A 42 -10.060 9.456 -3.395 1.00 1.22 C ATOM 661 OD1 ASP A 42 -11.251 9.638 -3.711 1.00 72.32 O ATOM 662 OD2 ASP A 42 -9.290 10.397 -3.115 1.00 70.05 O ATOM 0 H ASP A 42 -8.227 5.966 -3.667 1.00 3.54 H new ATOM 0 HA ASP A 42 -10.028 7.385 -5.359 1.00 14.42 H new ATOM 0 HB2 ASP A 42 -10.268 7.376 -2.929 1.00 3.42 H new ATOM 0 HB3 ASP A 42 -8.646 8.001 -2.710 1.00 3.42 H new ATOM 667 N GLY A 43 -6.934 8.481 -5.206 1.00 52.12 N ATOM 668 CA GLY A 43 -5.979 9.449 -5.739 1.00 62.03 C ATOM 669 C GLY A 43 -5.258 10.217 -4.636 1.00 31.40 C ATOM 670 O GLY A 43 -4.200 10.810 -4.858 1.00 61.04 O ATOM 0 H GLY A 43 -6.515 7.758 -4.621 1.00 52.12 H new ATOM 0 HA2 GLY A 43 -5.246 8.931 -6.357 1.00 62.03 H new ATOM 0 HA3 GLY A 43 -6.501 10.153 -6.387 1.00 62.03 H new ATOM 674 N SER A 44 -5.836 10.203 -3.438 1.00 74.13 N ATOM 675 CA SER A 44 -5.238 10.862 -2.271 1.00 65.41 C ATOM 676 C SER A 44 -3.902 10.214 -1.877 1.00 31.31 C ATOM 677 O SER A 44 -3.818 8.995 -1.670 1.00 41.42 O ATOM 678 CB SER A 44 -6.207 10.824 -1.080 1.00 1.44 C ATOM 679 OG SER A 44 -7.412 11.515 -1.375 1.00 62.32 O ATOM 0 H SER A 44 -6.724 9.740 -3.245 1.00 74.13 H new ATOM 0 HA SER A 44 -5.043 11.899 -2.545 1.00 65.41 H new ATOM 0 HB2 SER A 44 -6.432 9.789 -0.824 1.00 1.44 H new ATOM 0 HB3 SER A 44 -5.732 11.272 -0.207 1.00 1.44 H new ATOM 0 HG SER A 44 -7.950 10.984 -1.999 1.00 62.32 H new ATOM 685 N ILE A 45 -2.859 11.036 -1.767 1.00 35.22 N ATOM 686 CA ILE A 45 -1.512 10.568 -1.420 1.00 54.33 C ATOM 687 C ILE A 45 -1.450 10.021 0.022 1.00 22.44 C ATOM 688 O ILE A 45 -2.235 10.421 0.887 1.00 51.44 O ATOM 689 CB ILE A 45 -0.468 11.714 -1.581 1.00 31.02 C ATOM 690 CG1 ILE A 45 -0.474 12.257 -3.022 1.00 33.00 C ATOM 691 CG2 ILE A 45 0.940 11.248 -1.198 1.00 3.05 C ATOM 692 CD1 ILE A 45 -0.071 11.237 -4.069 1.00 12.02 C ATOM 0 H ILE A 45 -2.921 12.043 -1.915 1.00 35.22 H new ATOM 0 HA ILE A 45 -1.271 9.758 -2.108 1.00 54.33 H new ATOM 0 HB ILE A 45 -0.755 12.516 -0.901 1.00 31.02 H new ATOM 0 HG12 ILE A 45 -1.472 12.627 -3.256 1.00 33.00 H new ATOM 0 HG13 ILE A 45 0.203 13.109 -3.081 1.00 33.00 H new ATOM 0 HG21 ILE A 45 1.642 12.072 -1.322 1.00 3.05 H new ATOM 0 HG22 ILE A 45 0.945 10.921 -0.158 1.00 3.05 H new ATOM 0 HG23 ILE A 45 1.236 10.419 -1.841 1.00 3.05 H new ATOM 0 HD11 ILE A 45 -0.101 11.698 -5.056 1.00 12.02 H new ATOM 0 HD12 ILE A 45 0.940 10.884 -3.863 1.00 12.02 H new ATOM 0 HD13 ILE A 45 -0.762 10.394 -4.041 1.00 12.02 H new ATOM 704 N GLN A 46 -0.533 9.084 0.264 1.00 52.41 N ATOM 705 CA GLN A 46 -0.274 8.568 1.613 1.00 71.44 C ATOM 706 C GLN A 46 0.957 9.261 2.217 1.00 25.12 C ATOM 707 O GLN A 46 2.072 9.115 1.719 1.00 64.11 O ATOM 708 CB GLN A 46 -0.072 7.046 1.564 1.00 22.44 C ATOM 709 CG GLN A 46 0.242 6.407 2.915 1.00 11.33 C ATOM 710 CD GLN A 46 -0.773 6.759 3.993 1.00 31.25 C ATOM 711 OE1 GLN A 46 -0.609 7.729 4.724 1.00 32.43 O ATOM 712 NE2 GLN A 46 -1.839 5.987 4.090 1.00 44.02 N ATOM 0 H GLN A 46 0.048 8.663 -0.461 1.00 52.41 H new ATOM 0 HA GLN A 46 -1.134 8.782 2.248 1.00 71.44 H new ATOM 0 HB2 GLN A 46 -0.973 6.585 1.158 1.00 22.44 H new ATOM 0 HB3 GLN A 46 0.740 6.822 0.872 1.00 22.44 H new ATOM 0 HG2 GLN A 46 0.278 5.324 2.798 1.00 11.33 H new ATOM 0 HG3 GLN A 46 1.233 6.726 3.239 1.00 11.33 H new ATOM 0 HE21 GLN A 46 -1.947 5.187 3.467 1.00 44.02 H new ATOM 0 HE22 GLN A 46 -2.555 6.191 4.788 1.00 44.02 H new ATOM 721 N ASN A 47 0.743 10.027 3.284 1.00 3.54 N ATOM 722 CA ASN A 47 1.808 10.845 3.880 1.00 3.23 C ATOM 723 C ASN A 47 2.524 10.130 5.033 1.00 63.52 C ATOM 724 O ASN A 47 3.724 10.319 5.238 1.00 74.10 O ATOM 725 CB ASN A 47 1.229 12.168 4.388 1.00 50.22 C ATOM 726 CG ASN A 47 0.498 12.950 3.310 1.00 11.22 C ATOM 727 OD1 ASN A 47 -0.480 13.630 3.586 1.00 31.33 O ATOM 728 ND2 ASN A 47 0.968 12.877 2.081 1.00 22.50 N ATOM 0 H ASN A 47 -0.157 10.102 3.757 1.00 3.54 H new ATOM 0 HA ASN A 47 2.543 11.028 3.097 1.00 3.23 H new ATOM 0 HB2 ASN A 47 0.543 11.966 5.211 1.00 50.22 H new ATOM 0 HB3 ASN A 47 2.036 12.781 4.789 1.00 50.22 H new ATOM 0 HD21 ASN A 47 0.514 13.396 1.330 1.00 22.50 H new ATOM 0 HD22 ASN A 47 1.786 12.301 1.881 1.00 22.50 H new ATOM 735 N GLN A 48 1.791 9.317 5.791 1.00 23.14 N ATOM 736 CA GLN A 48 2.352 8.650 6.976 1.00 32.25 C ATOM 737 C GLN A 48 2.727 7.185 6.691 1.00 4.02 C ATOM 738 O GLN A 48 2.134 6.535 5.827 1.00 63.00 O ATOM 739 CB GLN A 48 1.364 8.756 8.158 1.00 20.35 C ATOM 740 CG GLN A 48 -0.046 8.222 7.876 1.00 75.45 C ATOM 741 CD GLN A 48 -0.225 6.750 8.218 1.00 4.24 C ATOM 742 OE1 GLN A 48 -0.583 6.402 9.339 1.00 23.44 O ATOM 743 NE2 GLN A 48 0.009 5.876 7.263 1.00 44.02 N ATOM 0 H GLN A 48 0.810 9.101 5.611 1.00 23.14 H new ATOM 0 HA GLN A 48 3.277 9.161 7.244 1.00 32.25 H new ATOM 0 HB2 GLN A 48 1.778 8.213 9.008 1.00 20.35 H new ATOM 0 HB3 GLN A 48 1.287 9.802 8.455 1.00 20.35 H new ATOM 0 HG2 GLN A 48 -0.767 8.808 8.446 1.00 75.45 H new ATOM 0 HG3 GLN A 48 -0.277 8.371 6.821 1.00 75.45 H new ATOM 0 HE21 GLN A 48 0.305 6.195 6.341 1.00 44.02 H new ATOM 0 HE22 GLN A 48 -0.106 4.879 7.445 1.00 44.02 H new ATOM 752 N SER A 49 3.719 6.678 7.418 1.00 14.54 N ATOM 753 CA SER A 49 4.192 5.300 7.239 1.00 1.51 C ATOM 754 C SER A 49 3.456 4.325 8.171 1.00 73.20 C ATOM 755 O SER A 49 2.803 4.737 9.132 1.00 72.31 O ATOM 756 CB SER A 49 5.706 5.220 7.487 1.00 43.41 C ATOM 757 OG SER A 49 6.046 5.673 8.791 1.00 54.54 O ATOM 0 H SER A 49 4.215 7.200 8.140 1.00 14.54 H new ATOM 0 HA SER A 49 3.979 5.009 6.210 1.00 1.51 H new ATOM 0 HB2 SER A 49 6.043 4.191 7.359 1.00 43.41 H new ATOM 0 HB3 SER A 49 6.230 5.821 6.744 1.00 43.41 H new ATOM 0 HG SER A 49 7.016 5.608 8.918 1.00 54.54 H new ATOM 763 N LEU A 50 3.571 3.025 7.883 1.00 52.43 N ATOM 764 CA LEU A 50 2.849 1.989 8.643 1.00 1.42 C ATOM 765 C LEU A 50 3.617 0.652 8.663 1.00 61.22 C ATOM 766 O LEU A 50 4.464 0.395 7.810 1.00 73.54 O ATOM 767 CB LEU A 50 1.432 1.814 8.060 1.00 4.23 C ATOM 768 CG LEU A 50 1.348 1.599 6.533 1.00 45.14 C ATOM 769 CD1 LEU A 50 1.651 0.150 6.155 1.00 34.43 C ATOM 770 CD2 LEU A 50 -0.019 2.024 6.002 1.00 50.31 C ATOM 0 H LEU A 50 4.156 2.661 7.131 1.00 52.43 H new ATOM 0 HA LEU A 50 2.768 2.316 9.680 1.00 1.42 H new ATOM 0 HB2 LEU A 50 0.961 0.964 8.553 1.00 4.23 H new ATOM 0 HB3 LEU A 50 0.845 2.696 8.315 1.00 4.23 H new ATOM 0 HG LEU A 50 2.108 2.227 6.068 1.00 45.14 H new ATOM 0 HD11 LEU A 50 1.583 0.034 5.073 1.00 34.43 H new ATOM 0 HD12 LEU A 50 2.657 -0.109 6.485 1.00 34.43 H new ATOM 0 HD13 LEU A 50 0.930 -0.510 6.637 1.00 34.43 H new ATOM 0 HD21 LEU A 50 -0.057 1.864 4.924 1.00 50.31 H new ATOM 0 HD22 LEU A 50 -0.797 1.432 6.484 1.00 50.31 H new ATOM 0 HD23 LEU A 50 -0.181 3.080 6.218 1.00 50.31 H new ATOM 782 N HIS A 51 3.309 -0.200 9.647 1.00 31.13 N ATOM 783 CA HIS A 51 4.013 -1.484 9.814 1.00 72.31 C ATOM 784 C HIS A 51 3.167 -2.698 9.375 1.00 15.23 C ATOM 785 O HIS A 51 3.686 -3.809 9.260 1.00 2.54 O ATOM 786 CB HIS A 51 4.447 -1.665 11.278 1.00 62.53 C ATOM 787 CG HIS A 51 5.513 -0.704 11.707 1.00 5.05 C ATOM 788 ND1 HIS A 51 6.855 -1.011 11.677 1.00 4.44 N ATOM 789 CD2 HIS A 51 5.434 0.559 12.184 1.00 65.22 C ATOM 790 CE1 HIS A 51 7.550 0.017 12.112 1.00 34.24 C ATOM 791 NE2 HIS A 51 6.716 0.987 12.424 1.00 11.31 N ATOM 0 H HIS A 51 2.580 -0.028 10.339 1.00 31.13 H new ATOM 0 HA HIS A 51 4.886 -1.445 9.163 1.00 72.31 H new ATOM 0 HB2 HIS A 51 3.578 -1.544 11.924 1.00 62.53 H new ATOM 0 HB3 HIS A 51 4.809 -2.684 11.418 1.00 62.53 H new ATOM 0 HD2 HIS A 51 4.529 1.126 12.346 1.00 65.22 H new ATOM 0 HE1 HIS A 51 8.626 0.059 12.199 1.00 34.24 H new ATOM 0 HE2 HIS A 51 6.979 1.904 12.784 1.00 11.31 H new ATOM 800 N GLU A 52 1.873 -2.491 9.131 1.00 12.44 N ATOM 801 CA GLU A 52 0.986 -3.589 8.715 1.00 64.34 C ATOM 802 C GLU A 52 0.008 -3.147 7.616 1.00 41.14 C ATOM 803 O GLU A 52 -0.528 -2.038 7.646 1.00 24.12 O ATOM 804 CB GLU A 52 0.210 -4.147 9.923 1.00 71.13 C ATOM 805 CG GLU A 52 1.096 -4.858 10.945 1.00 62.02 C ATOM 806 CD GLU A 52 0.327 -5.368 12.154 1.00 50.13 C ATOM 807 OE1 GLU A 52 -0.177 -6.513 12.107 1.00 61.34 O ATOM 808 OE2 GLU A 52 0.240 -4.635 13.162 1.00 43.15 O ATOM 0 H GLU A 52 1.414 -1.584 9.212 1.00 12.44 H new ATOM 0 HA GLU A 52 1.617 -4.377 8.303 1.00 64.34 H new ATOM 0 HB2 GLU A 52 -0.315 -3.329 10.416 1.00 71.13 H new ATOM 0 HB3 GLU A 52 -0.549 -4.843 9.566 1.00 71.13 H new ATOM 0 HG2 GLU A 52 1.597 -5.697 10.461 1.00 62.02 H new ATOM 0 HG3 GLU A 52 1.874 -4.173 11.280 1.00 62.02 H new ATOM 815 N ALA A 53 -0.212 -4.035 6.647 1.00 34.33 N ATOM 816 CA ALA A 53 -1.102 -3.766 5.515 1.00 10.04 C ATOM 817 C ALA A 53 -1.628 -5.075 4.902 1.00 31.32 C ATOM 818 O ALA A 53 -1.165 -6.163 5.252 1.00 34.42 O ATOM 819 CB ALA A 53 -0.376 -2.935 4.461 1.00 54.44 C ATOM 0 H ALA A 53 0.220 -4.959 6.623 1.00 34.33 H new ATOM 0 HA ALA A 53 -1.959 -3.200 5.881 1.00 10.04 H new ATOM 0 HB1 ALA A 53 -1.047 -2.741 3.624 1.00 54.44 H new ATOM 0 HB2 ALA A 53 -0.059 -1.988 4.899 1.00 54.44 H new ATOM 0 HB3 ALA A 53 0.498 -3.481 4.106 1.00 54.44 H new ATOM 825 N LEU A 54 -2.583 -4.965 3.985 1.00 11.24 N ATOM 826 CA LEU A 54 -3.187 -6.136 3.333 1.00 35.32 C ATOM 827 C LEU A 54 -2.860 -6.166 1.834 1.00 60.43 C ATOM 828 O LEU A 54 -2.672 -5.124 1.209 1.00 70.41 O ATOM 829 CB LEU A 54 -4.708 -6.106 3.518 1.00 70.24 C ATOM 830 CG LEU A 54 -5.198 -6.054 4.972 1.00 75.23 C ATOM 831 CD1 LEU A 54 -6.709 -5.851 5.022 1.00 74.25 C ATOM 832 CD2 LEU A 54 -4.798 -7.319 5.727 1.00 24.21 C ATOM 0 H LEU A 54 -2.962 -4.072 3.670 1.00 11.24 H new ATOM 0 HA LEU A 54 -2.773 -7.031 3.797 1.00 35.32 H new ATOM 0 HB2 LEU A 54 -5.103 -5.239 2.989 1.00 70.24 H new ATOM 0 HB3 LEU A 54 -5.132 -6.990 3.042 1.00 70.24 H new ATOM 0 HG LEU A 54 -4.721 -5.204 5.461 1.00 75.23 H new ATOM 0 HD11 LEU A 54 -7.037 -5.817 6.061 1.00 74.25 H new ATOM 0 HD12 LEU A 54 -6.967 -4.914 4.529 1.00 74.25 H new ATOM 0 HD13 LEU A 54 -7.204 -6.677 4.512 1.00 74.25 H new ATOM 0 HD21 LEU A 54 -5.156 -7.258 6.755 1.00 24.21 H new ATOM 0 HD22 LEU A 54 -5.239 -8.188 5.240 1.00 24.21 H new ATOM 0 HD23 LEU A 54 -3.712 -7.415 5.727 1.00 24.21 H new ATOM 844 N ILE A 55 -2.811 -7.363 1.260 1.00 20.02 N ATOM 845 CA ILE A 55 -2.519 -7.531 -0.168 1.00 20.24 C ATOM 846 C ILE A 55 -3.252 -8.757 -0.740 1.00 2.13 C ATOM 847 O ILE A 55 -3.502 -9.732 -0.029 1.00 63.45 O ATOM 848 CB ILE A 55 -0.989 -7.681 -0.405 1.00 2.05 C ATOM 849 CG1 ILE A 55 -0.659 -7.714 -1.911 1.00 44.02 C ATOM 850 CG2 ILE A 55 -0.455 -8.933 0.291 1.00 4.33 C ATOM 851 CD1 ILE A 55 -1.049 -6.450 -2.651 1.00 32.23 C ATOM 0 H ILE A 55 -2.970 -8.238 1.760 1.00 20.02 H new ATOM 0 HA ILE A 55 -2.873 -6.638 -0.683 1.00 20.24 H new ATOM 0 HB ILE A 55 -0.497 -6.810 0.027 1.00 2.05 H new ATOM 0 HG12 ILE A 55 0.411 -7.881 -2.035 1.00 44.02 H new ATOM 0 HG13 ILE A 55 -1.169 -8.563 -2.367 1.00 44.02 H new ATOM 0 HG21 ILE A 55 0.617 -9.019 0.113 1.00 4.33 H new ATOM 0 HG22 ILE A 55 -0.640 -8.860 1.363 1.00 4.33 H new ATOM 0 HG23 ILE A 55 -0.961 -9.813 -0.106 1.00 4.33 H new ATOM 0 HD11 ILE A 55 -0.786 -6.549 -3.704 1.00 32.23 H new ATOM 0 HD12 ILE A 55 -2.123 -6.291 -2.559 1.00 32.23 H new ATOM 0 HD13 ILE A 55 -0.519 -5.599 -2.223 1.00 32.23 H new ATOM 863 N THR A 56 -3.623 -8.699 -2.016 1.00 74.32 N ATOM 864 CA THR A 56 -4.222 -9.856 -2.694 1.00 33.55 C ATOM 865 C THR A 56 -3.140 -10.877 -3.070 1.00 53.55 C ATOM 866 O THR A 56 -1.978 -10.511 -3.269 1.00 40.32 O ATOM 867 CB THR A 56 -4.983 -9.453 -3.980 1.00 2.55 C ATOM 868 OG1 THR A 56 -4.061 -9.020 -4.994 1.00 31.33 O ATOM 869 CG2 THR A 56 -5.992 -8.339 -3.704 1.00 21.21 C ATOM 0 H THR A 56 -3.522 -7.871 -2.603 1.00 74.32 H new ATOM 0 HA THR A 56 -4.932 -10.293 -1.992 1.00 33.55 H new ATOM 0 HB THR A 56 -5.523 -10.333 -4.330 1.00 2.55 H new ATOM 0 HG1 THR A 56 -4.110 -9.627 -5.762 1.00 31.33 H new ATOM 0 HG21 THR A 56 -6.509 -8.080 -4.628 1.00 21.21 H new ATOM 0 HG22 THR A 56 -6.717 -8.680 -2.965 1.00 21.21 H new ATOM 0 HG23 THR A 56 -5.470 -7.462 -3.322 1.00 21.21 H new ATOM 877 N ARG A 57 -3.515 -12.152 -3.179 1.00 24.51 N ATOM 878 CA ARG A 57 -2.549 -13.215 -3.503 1.00 53.05 C ATOM 879 C ARG A 57 -1.732 -12.902 -4.778 1.00 42.32 C ATOM 880 O ARG A 57 -0.556 -13.260 -4.873 1.00 24.34 O ATOM 881 CB ARG A 57 -3.270 -14.567 -3.662 1.00 74.13 C ATOM 882 CG ARG A 57 -2.340 -15.733 -3.999 1.00 23.21 C ATOM 883 CD ARG A 57 -1.347 -16.031 -2.876 1.00 34.44 C ATOM 884 NE ARG A 57 -2.000 -16.570 -1.685 1.00 41.50 N ATOM 885 CZ ARG A 57 -1.387 -16.818 -0.557 1.00 51.20 C ATOM 886 NH1 ARG A 57 -0.122 -16.575 -0.419 1.00 23.01 N ATOM 887 NH2 ARG A 57 -2.044 -17.318 0.438 1.00 0.52 N ATOM 0 H ARG A 57 -4.473 -12.477 -3.050 1.00 24.51 H new ATOM 0 HA ARG A 57 -1.848 -13.270 -2.670 1.00 53.05 H new ATOM 0 HB2 ARG A 57 -3.801 -14.795 -2.738 1.00 74.13 H new ATOM 0 HB3 ARG A 57 -4.021 -14.476 -4.447 1.00 74.13 H new ATOM 0 HG2 ARG A 57 -2.936 -16.623 -4.199 1.00 23.21 H new ATOM 0 HG3 ARG A 57 -1.792 -15.505 -4.913 1.00 23.21 H new ATOM 0 HD2 ARG A 57 -0.602 -16.743 -3.232 1.00 34.44 H new ATOM 0 HD3 ARG A 57 -0.815 -15.117 -2.613 1.00 34.44 H new ATOM 0 HE ARG A 57 -3.000 -16.766 -1.737 1.00 41.50 H new ATOM 0 HH11 ARG A 57 0.410 -16.185 -1.197 1.00 23.01 H new ATOM 0 HH12 ARG A 57 0.342 -16.774 0.467 1.00 23.01 H new ATOM 0 HH21 ARG A 57 -3.040 -17.519 0.343 1.00 0.52 H new ATOM 0 HH22 ARG A 57 -1.567 -17.512 1.318 1.00 0.52 H new ATOM 901 N ASP A 58 -2.349 -12.232 -5.751 1.00 3.21 N ATOM 902 CA ASP A 58 -1.670 -11.907 -7.014 1.00 62.34 C ATOM 903 C ASP A 58 -1.150 -10.453 -7.040 1.00 1.13 C ATOM 904 O ASP A 58 -0.704 -9.967 -8.077 1.00 45.01 O ATOM 905 CB ASP A 58 -2.615 -12.170 -8.192 1.00 74.52 C ATOM 906 CG ASP A 58 -3.825 -11.249 -8.216 1.00 55.43 C ATOM 907 OD1 ASP A 58 -4.389 -10.948 -7.143 1.00 11.34 O ATOM 908 OD2 ASP A 58 -4.230 -10.839 -9.321 1.00 60.42 O ATOM 0 H ASP A 58 -3.313 -11.903 -5.694 1.00 3.21 H new ATOM 0 HA ASP A 58 -0.797 -12.553 -7.101 1.00 62.34 H new ATOM 0 HB2 ASP A 58 -2.062 -12.055 -9.124 1.00 74.52 H new ATOM 0 HB3 ASP A 58 -2.956 -13.204 -8.150 1.00 74.52 H new ATOM 913 N ARG A 59 -1.223 -9.772 -5.891 1.00 63.51 N ATOM 914 CA ARG A 59 -0.623 -8.438 -5.712 1.00 5.21 C ATOM 915 C ARG A 59 -1.246 -7.349 -6.612 1.00 51.10 C ATOM 916 O ARG A 59 -0.533 -6.626 -7.311 1.00 74.32 O ATOM 917 CB ARG A 59 0.907 -8.493 -5.927 1.00 64.13 C ATOM 918 CG ARG A 59 1.703 -9.005 -4.722 1.00 12.40 C ATOM 919 CD ARG A 59 1.418 -10.471 -4.391 1.00 1.30 C ATOM 920 NE ARG A 59 2.197 -10.918 -3.235 1.00 41.42 N ATOM 921 CZ ARG A 59 2.297 -12.158 -2.836 1.00 3.42 C ATOM 922 NH1 ARG A 59 1.663 -13.110 -3.447 1.00 31.34 N ATOM 923 NH2 ARG A 59 3.021 -12.441 -1.804 1.00 4.02 N ATOM 0 H ARG A 59 -1.697 -10.125 -5.060 1.00 63.51 H new ATOM 0 HA ARG A 59 -0.841 -8.151 -4.683 1.00 5.21 H new ATOM 0 HB2 ARG A 59 1.117 -9.134 -6.783 1.00 64.13 H new ATOM 0 HB3 ARG A 59 1.261 -7.494 -6.182 1.00 64.13 H new ATOM 0 HG2 ARG A 59 2.768 -8.884 -4.920 1.00 12.40 H new ATOM 0 HG3 ARG A 59 1.469 -8.391 -3.853 1.00 12.40 H new ATOM 0 HD2 ARG A 59 0.355 -10.600 -4.187 1.00 1.30 H new ATOM 0 HD3 ARG A 59 1.655 -11.093 -5.254 1.00 1.30 H new ATOM 0 HE ARG A 59 2.699 -10.208 -2.701 1.00 41.42 H new ATOM 0 HH11 ARG A 59 1.075 -12.896 -4.253 1.00 31.34 H new ATOM 0 HH12 ARG A 59 1.752 -14.073 -3.122 1.00 31.34 H new ATOM 0 HH21 ARG A 59 3.511 -11.698 -1.305 1.00 4.02 H new ATOM 0 HH22 ARG A 59 3.103 -13.407 -1.488 1.00 4.02 H new ATOM 937 N LYS A 60 -2.572 -7.206 -6.571 1.00 24.41 N ATOM 938 CA LYS A 60 -3.245 -6.104 -7.281 1.00 11.10 C ATOM 939 C LYS A 60 -3.203 -4.810 -6.452 1.00 64.31 C ATOM 940 O LYS A 60 -2.547 -3.833 -6.816 1.00 5.40 O ATOM 941 CB LYS A 60 -4.717 -6.435 -7.583 1.00 64.34 C ATOM 942 CG LYS A 60 -4.946 -7.634 -8.496 1.00 62.32 C ATOM 943 CD LYS A 60 -6.394 -7.669 -8.994 1.00 42.31 C ATOM 944 CE LYS A 60 -6.715 -8.936 -9.777 1.00 11.32 C ATOM 945 NZ LYS A 60 -6.775 -10.133 -8.894 1.00 0.53 N ATOM 0 H LYS A 60 -3.199 -7.828 -6.062 1.00 24.41 H new ATOM 0 HA LYS A 60 -2.707 -5.966 -8.219 1.00 11.10 H new ATOM 0 HB2 LYS A 60 -5.232 -6.616 -6.639 1.00 64.34 H new ATOM 0 HB3 LYS A 60 -5.182 -5.560 -8.037 1.00 64.34 H new ATOM 0 HG2 LYS A 60 -4.265 -7.585 -9.346 1.00 62.32 H new ATOM 0 HG3 LYS A 60 -4.719 -8.555 -7.959 1.00 62.32 H new ATOM 0 HD2 LYS A 60 -7.069 -7.592 -8.142 1.00 42.31 H new ATOM 0 HD3 LYS A 60 -6.578 -6.800 -9.626 1.00 42.31 H new ATOM 0 HE2 LYS A 60 -7.669 -8.814 -10.289 1.00 11.32 H new ATOM 0 HE3 LYS A 60 -5.958 -9.089 -10.546 1.00 11.32 H new ATOM 0 HZ1 LYS A 60 -6.009 -10.789 -9.146 1.00 0.53 H new ATOM 0 HZ2 LYS A 60 -6.667 -9.839 -7.902 1.00 0.53 H new ATOM 0 HZ3 LYS A 60 -7.692 -10.609 -9.016 1.00 0.53 H new ATOM 959 N GLN A 61 -3.916 -4.824 -5.323 1.00 1.32 N ATOM 960 CA GLN A 61 -4.093 -3.627 -4.489 1.00 2.03 C ATOM 961 C GLN A 61 -3.692 -3.884 -3.027 1.00 71.33 C ATOM 962 O GLN A 61 -3.964 -4.952 -2.472 1.00 32.41 O ATOM 963 CB GLN A 61 -5.561 -3.167 -4.539 1.00 31.21 C ATOM 964 CG GLN A 61 -6.061 -2.791 -5.935 1.00 31.33 C ATOM 965 CD GLN A 61 -5.430 -1.520 -6.491 1.00 40.43 C ATOM 966 OE1 GLN A 61 -5.262 -1.370 -7.694 1.00 14.32 O ATOM 967 NE2 GLN A 61 -5.095 -0.583 -5.626 1.00 3.41 N ATOM 0 H GLN A 61 -4.384 -5.655 -4.962 1.00 1.32 H new ATOM 0 HA GLN A 61 -3.441 -2.850 -4.888 1.00 2.03 H new ATOM 0 HB2 GLN A 61 -6.192 -3.963 -4.143 1.00 31.21 H new ATOM 0 HB3 GLN A 61 -5.682 -2.307 -3.880 1.00 31.21 H new ATOM 0 HG2 GLN A 61 -5.858 -3.616 -6.618 1.00 31.33 H new ATOM 0 HG3 GLN A 61 -7.143 -2.664 -5.902 1.00 31.33 H new ATOM 0 HE21 GLN A 61 -5.245 -0.733 -4.628 1.00 3.41 H new ATOM 0 HE22 GLN A 61 -4.686 0.292 -5.955 1.00 3.41 H new ATOM 976 N VAL A 62 -3.048 -2.896 -2.414 1.00 41.40 N ATOM 977 CA VAL A 62 -2.684 -2.945 -0.998 1.00 42.30 C ATOM 978 C VAL A 62 -3.701 -2.165 -0.152 1.00 1.23 C ATOM 979 O VAL A 62 -3.894 -0.967 -0.354 1.00 74.42 O ATOM 980 CB VAL A 62 -1.274 -2.340 -0.757 1.00 15.35 C ATOM 981 CG1 VAL A 62 -0.906 -2.369 0.729 1.00 31.12 C ATOM 982 CG2 VAL A 62 -0.220 -3.064 -1.594 1.00 73.31 C ATOM 0 H VAL A 62 -2.762 -2.037 -2.884 1.00 41.40 H new ATOM 0 HA VAL A 62 -2.680 -3.994 -0.703 1.00 42.30 H new ATOM 0 HB VAL A 62 -1.300 -1.297 -1.073 1.00 15.35 H new ATOM 0 HG11 VAL A 62 0.086 -1.939 0.867 1.00 31.12 H new ATOM 0 HG12 VAL A 62 -1.635 -1.789 1.296 1.00 31.12 H new ATOM 0 HG13 VAL A 62 -0.907 -3.400 1.084 1.00 31.12 H new ATOM 0 HG21 VAL A 62 0.759 -2.622 -1.408 1.00 73.31 H new ATOM 0 HG22 VAL A 62 -0.200 -4.119 -1.321 1.00 73.31 H new ATOM 0 HG23 VAL A 62 -0.466 -2.968 -2.651 1.00 73.31 H new ATOM 992 N PHE A 63 -4.355 -2.839 0.790 1.00 63.11 N ATOM 993 CA PHE A 63 -5.324 -2.180 1.677 1.00 43.41 C ATOM 994 C PHE A 63 -4.666 -1.789 3.010 1.00 10.43 C ATOM 995 O PHE A 63 -3.887 -2.553 3.579 1.00 32.13 O ATOM 996 CB PHE A 63 -6.535 -3.091 1.929 1.00 74.54 C ATOM 997 CG PHE A 63 -7.330 -3.410 0.687 1.00 11.10 C ATOM 998 CD1 PHE A 63 -7.022 -4.517 -0.091 1.00 54.30 C ATOM 999 CD2 PHE A 63 -8.392 -2.604 0.302 1.00 12.55 C ATOM 1000 CE1 PHE A 63 -7.751 -4.809 -1.230 1.00 22.31 C ATOM 1001 CE2 PHE A 63 -9.124 -2.893 -0.835 1.00 11.12 C ATOM 1002 CZ PHE A 63 -8.803 -3.996 -1.600 1.00 63.12 C ATOM 0 H PHE A 63 -4.236 -3.837 0.963 1.00 63.11 H new ATOM 0 HA PHE A 63 -5.669 -1.272 1.183 1.00 43.41 H new ATOM 0 HB2 PHE A 63 -6.189 -4.023 2.376 1.00 74.54 H new ATOM 0 HB3 PHE A 63 -7.192 -2.613 2.656 1.00 74.54 H new ATOM 0 HD1 PHE A 63 -6.202 -5.159 0.196 1.00 54.30 H new ATOM 0 HD2 PHE A 63 -8.650 -1.741 0.897 1.00 12.55 H new ATOM 0 HE1 PHE A 63 -7.497 -5.672 -1.828 1.00 22.31 H new ATOM 0 HE2 PHE A 63 -9.947 -2.256 -1.124 1.00 11.12 H new ATOM 0 HZ PHE A 63 -9.375 -4.223 -2.488 1.00 63.12 H new ATOM 1012 N ARG A 64 -4.989 -0.601 3.506 1.00 62.21 N ATOM 1013 CA ARG A 64 -4.366 -0.075 4.729 1.00 4.51 C ATOM 1014 C ARG A 64 -5.081 -0.585 5.994 1.00 24.12 C ATOM 1015 O ARG A 64 -6.255 -0.946 5.959 1.00 25.13 O ATOM 1016 CB ARG A 64 -4.372 1.462 4.693 1.00 31.21 C ATOM 1017 CG ARG A 64 -3.694 2.116 5.895 1.00 64.42 C ATOM 1018 CD ARG A 64 -3.624 3.634 5.751 1.00 14.42 C ATOM 1019 NE ARG A 64 -4.942 4.233 5.559 1.00 4.40 N ATOM 1020 CZ ARG A 64 -5.706 4.652 6.528 1.00 34.12 C ATOM 1021 NH1 ARG A 64 -5.322 4.566 7.761 1.00 5.21 N ATOM 1022 NH2 ARG A 64 -6.855 5.171 6.255 1.00 13.13 N ATOM 0 H ARG A 64 -5.678 0.022 3.085 1.00 62.21 H new ATOM 0 HA ARG A 64 -3.337 -0.433 4.768 1.00 4.51 H new ATOM 0 HB2 ARG A 64 -3.874 1.795 3.783 1.00 31.21 H new ATOM 0 HB3 ARG A 64 -5.404 1.810 4.638 1.00 31.21 H new ATOM 0 HG2 ARG A 64 -4.241 1.862 6.803 1.00 64.42 H new ATOM 0 HG3 ARG A 64 -2.687 1.715 6.007 1.00 64.42 H new ATOM 0 HD2 ARG A 64 -3.160 4.060 6.640 1.00 14.42 H new ATOM 0 HD3 ARG A 64 -2.985 3.888 4.905 1.00 14.42 H new ATOM 0 HE ARG A 64 -5.287 4.330 4.604 1.00 4.40 H new ATOM 0 HH11 ARG A 64 -4.411 4.166 7.985 1.00 5.21 H new ATOM 0 HH12 ARG A 64 -5.931 4.898 8.509 1.00 5.21 H new ATOM 0 HH21 ARG A 64 -7.161 5.251 5.285 1.00 13.13 H new ATOM 0 HH22 ARG A 64 -7.458 5.501 7.009 1.00 13.13 H new ATOM 1036 N ILE A 65 -4.355 -0.626 7.112 1.00 22.31 N ATOM 1037 CA ILE A 65 -4.927 -1.047 8.398 1.00 11.33 C ATOM 1038 C ILE A 65 -4.802 0.065 9.451 1.00 1.42 C ATOM 1039 O ILE A 65 -3.745 0.680 9.596 1.00 21.24 O ATOM 1040 CB ILE A 65 -4.232 -2.331 8.934 1.00 74.51 C ATOM 1041 CG1 ILE A 65 -4.356 -3.477 7.913 1.00 30.45 C ATOM 1042 CG2 ILE A 65 -4.820 -2.745 10.286 1.00 40.43 C ATOM 1043 CD1 ILE A 65 -3.652 -4.754 8.335 1.00 32.21 C ATOM 0 H ILE A 65 -3.368 -0.373 7.156 1.00 22.31 H new ATOM 0 HA ILE A 65 -5.981 -1.259 8.220 1.00 11.33 H new ATOM 0 HB ILE A 65 -3.174 -2.112 9.079 1.00 74.51 H new ATOM 0 HG12 ILE A 65 -5.412 -3.693 7.750 1.00 30.45 H new ATOM 0 HG13 ILE A 65 -3.947 -3.146 6.958 1.00 30.45 H new ATOM 0 HG21 ILE A 65 -4.318 -3.645 10.641 1.00 40.43 H new ATOM 0 HG22 ILE A 65 -4.675 -1.941 11.007 1.00 40.43 H new ATOM 0 HG23 ILE A 65 -5.886 -2.944 10.174 1.00 40.43 H new ATOM 0 HD11 ILE A 65 -3.784 -5.514 7.565 1.00 32.21 H new ATOM 0 HD12 ILE A 65 -2.589 -4.556 8.470 1.00 32.21 H new ATOM 0 HD13 ILE A 65 -4.077 -5.111 9.273 1.00 32.21 H new ATOM 1055 N GLU A 66 -5.892 0.324 10.172 1.00 3.24 N ATOM 1056 CA GLU A 66 -5.886 1.268 11.298 1.00 43.14 C ATOM 1057 C GLU A 66 -6.809 0.771 12.418 1.00 14.12 C ATOM 1058 O GLU A 66 -7.789 0.072 12.150 1.00 53.20 O ATOM 1059 CB GLU A 66 -6.312 2.679 10.851 1.00 43.45 C ATOM 1060 CG GLU A 66 -7.702 2.755 10.212 1.00 14.21 C ATOM 1061 CD GLU A 66 -8.183 4.187 9.999 1.00 70.01 C ATOM 1062 OE1 GLU A 66 -7.522 4.945 9.257 1.00 32.44 O ATOM 1063 OE2 GLU A 66 -9.221 4.567 10.578 1.00 74.14 O ATOM 0 H GLU A 66 -6.799 -0.109 9.997 1.00 3.24 H new ATOM 0 HA GLU A 66 -4.865 1.326 11.676 1.00 43.14 H new ATOM 0 HB2 GLU A 66 -6.288 3.342 11.716 1.00 43.45 H new ATOM 0 HB3 GLU A 66 -5.578 3.057 10.139 1.00 43.45 H new ATOM 0 HG2 GLU A 66 -7.684 2.237 9.253 1.00 14.21 H new ATOM 0 HG3 GLU A 66 -8.416 2.228 10.845 1.00 14.21 H new ATOM 1070 N ASP A 67 -6.485 1.114 13.670 1.00 43.33 N ATOM 1071 CA ASP A 67 -7.286 0.693 14.832 1.00 53.15 C ATOM 1072 C ASP A 67 -7.304 -0.851 14.967 1.00 2.23 C ATOM 1073 O ASP A 67 -8.175 -1.419 15.625 1.00 64.54 O ATOM 1074 CB ASP A 67 -8.717 1.261 14.704 1.00 71.32 C ATOM 1075 CG ASP A 67 -9.538 1.124 15.978 1.00 65.22 C ATOM 1076 OD1 ASP A 67 -9.301 1.901 16.929 1.00 12.50 O ATOM 1077 OD2 ASP A 67 -10.433 0.253 16.035 1.00 42.43 O ATOM 0 H ASP A 67 -5.673 1.683 13.908 1.00 43.33 H new ATOM 0 HA ASP A 67 -6.830 1.089 15.739 1.00 53.15 H new ATOM 0 HB2 ASP A 67 -8.659 2.314 14.430 1.00 71.32 H new ATOM 0 HB3 ASP A 67 -9.232 0.748 13.892 1.00 71.32 H new ATOM 1082 N SER A 68 -6.308 -1.512 14.357 1.00 73.05 N ATOM 1083 CA SER A 68 -6.229 -2.991 14.311 1.00 14.31 C ATOM 1084 C SER A 68 -7.372 -3.590 13.469 1.00 41.41 C ATOM 1085 O SER A 68 -7.652 -4.791 13.528 1.00 73.21 O ATOM 1086 CB SER A 68 -6.249 -3.589 15.733 1.00 1.55 C ATOM 1087 OG SER A 68 -6.127 -5.007 15.710 1.00 12.54 O ATOM 0 H SER A 68 -5.536 -1.045 13.882 1.00 73.05 H new ATOM 0 HA SER A 68 -5.283 -3.251 13.835 1.00 14.31 H new ATOM 0 HB2 SER A 68 -5.434 -3.163 16.318 1.00 1.55 H new ATOM 0 HB3 SER A 68 -7.178 -3.312 16.231 1.00 1.55 H new ATOM 0 HG SER A 68 -6.622 -5.366 14.944 1.00 12.54 H new ATOM 1093 N ILE A 69 -8.023 -2.742 12.670 1.00 63.55 N ATOM 1094 CA ILE A 69 -9.154 -3.158 11.830 1.00 20.04 C ATOM 1095 C ILE A 69 -8.765 -3.188 10.338 1.00 34.44 C ATOM 1096 O ILE A 69 -8.254 -2.201 9.803 1.00 31.11 O ATOM 1097 CB ILE A 69 -10.364 -2.203 12.025 1.00 61.14 C ATOM 1098 CG1 ILE A 69 -10.805 -2.186 13.500 1.00 63.33 C ATOM 1099 CG2 ILE A 69 -11.535 -2.598 11.121 1.00 40.44 C ATOM 1100 CD1 ILE A 69 -11.242 -3.537 14.031 1.00 63.33 C ATOM 0 H ILE A 69 -7.785 -1.754 12.585 1.00 63.55 H new ATOM 0 HA ILE A 69 -9.433 -4.165 12.140 1.00 20.04 H new ATOM 0 HB ILE A 69 -10.047 -1.199 11.743 1.00 61.14 H new ATOM 0 HG12 ILE A 69 -9.981 -1.817 14.110 1.00 63.33 H new ATOM 0 HG13 ILE A 69 -11.627 -1.479 13.614 1.00 63.33 H new ATOM 0 HG21 ILE A 69 -12.366 -1.911 11.281 1.00 40.44 H new ATOM 0 HG22 ILE A 69 -11.221 -2.552 10.078 1.00 40.44 H new ATOM 0 HG23 ILE A 69 -11.853 -3.613 11.360 1.00 40.44 H new ATOM 0 HD11 ILE A 69 -11.537 -3.439 15.076 1.00 63.33 H new ATOM 0 HD12 ILE A 69 -12.088 -3.901 13.448 1.00 63.33 H new ATOM 0 HD13 ILE A 69 -10.416 -4.244 13.952 1.00 63.33 H new ATOM 1112 N PRO A 70 -8.988 -4.327 9.647 1.00 2.14 N ATOM 1113 CA PRO A 70 -8.727 -4.442 8.201 1.00 74.44 C ATOM 1114 C PRO A 70 -9.606 -3.495 7.359 1.00 71.31 C ATOM 1115 O PRO A 70 -10.780 -3.776 7.111 1.00 2.33 O ATOM 1116 CB PRO A 70 -9.057 -5.913 7.883 1.00 74.23 C ATOM 1117 CG PRO A 70 -9.033 -6.611 9.202 1.00 71.12 C ATOM 1118 CD PRO A 70 -9.491 -5.592 10.210 1.00 51.42 C ATOM 0 HA PRO A 70 -7.702 -4.162 7.957 1.00 74.44 H new ATOM 0 HB2 PRO A 70 -10.033 -6.004 7.407 1.00 74.23 H new ATOM 0 HB3 PRO A 70 -8.326 -6.341 7.197 1.00 74.23 H new ATOM 0 HG2 PRO A 70 -9.691 -7.480 9.197 1.00 71.12 H new ATOM 0 HG3 PRO A 70 -8.031 -6.971 9.436 1.00 71.12 H new ATOM 0 HD2 PRO A 70 -10.576 -5.585 10.314 1.00 51.42 H new ATOM 0 HD3 PRO A 70 -9.077 -5.787 11.199 1.00 51.42 H new ATOM 1126 N VAL A 71 -9.038 -2.367 6.937 1.00 43.30 N ATOM 1127 CA VAL A 71 -9.776 -1.379 6.146 1.00 23.43 C ATOM 1128 C VAL A 71 -9.906 -1.820 4.676 1.00 14.25 C ATOM 1129 O VAL A 71 -9.014 -1.591 3.856 1.00 44.22 O ATOM 1130 CB VAL A 71 -9.099 0.015 6.217 1.00 12.15 C ATOM 1131 CG1 VAL A 71 -9.895 1.057 5.436 1.00 30.13 C ATOM 1132 CG2 VAL A 71 -8.913 0.451 7.668 1.00 5.11 C ATOM 0 H VAL A 71 -8.069 -2.113 7.129 1.00 43.30 H new ATOM 0 HA VAL A 71 -10.775 -1.307 6.576 1.00 23.43 H new ATOM 0 HB VAL A 71 -8.115 -0.067 5.755 1.00 12.15 H new ATOM 0 HG11 VAL A 71 -9.395 2.023 5.505 1.00 30.13 H new ATOM 0 HG12 VAL A 71 -9.961 0.756 4.390 1.00 30.13 H new ATOM 0 HG13 VAL A 71 -10.898 1.137 5.854 1.00 30.13 H new ATOM 0 HG21 VAL A 71 -8.437 1.431 7.695 1.00 5.11 H new ATOM 0 HG22 VAL A 71 -9.885 0.506 8.159 1.00 5.11 H new ATOM 0 HG23 VAL A 71 -8.285 -0.272 8.188 1.00 5.11 H new ATOM 1142 N LEU A 72 -11.029 -2.457 4.353 1.00 41.34 N ATOM 1143 CA LEU A 72 -11.289 -2.948 2.993 1.00 30.41 C ATOM 1144 C LEU A 72 -12.025 -1.896 2.142 1.00 72.15 C ATOM 1145 O LEU A 72 -12.794 -2.237 1.238 1.00 65.30 O ATOM 1146 CB LEU A 72 -12.112 -4.246 3.061 1.00 24.25 C ATOM 1147 CG LEU A 72 -11.474 -5.392 3.867 1.00 61.25 C ATOM 1148 CD1 LEU A 72 -12.367 -6.628 3.847 1.00 31.40 C ATOM 1149 CD2 LEU A 72 -10.079 -5.722 3.338 1.00 4.04 C ATOM 0 H LEU A 72 -11.780 -2.648 5.016 1.00 41.34 H new ATOM 0 HA LEU A 72 -10.330 -3.147 2.514 1.00 30.41 H new ATOM 0 HB2 LEU A 72 -13.085 -4.017 3.496 1.00 24.25 H new ATOM 0 HB3 LEU A 72 -12.292 -4.596 2.044 1.00 24.25 H new ATOM 0 HG LEU A 72 -11.372 -5.062 4.901 1.00 61.25 H new ATOM 0 HD11 LEU A 72 -11.897 -7.426 4.422 1.00 31.40 H new ATOM 0 HD12 LEU A 72 -13.334 -6.385 4.286 1.00 31.40 H new ATOM 0 HD13 LEU A 72 -12.508 -6.958 2.818 1.00 31.40 H new ATOM 0 HD21 LEU A 72 -9.650 -6.535 3.924 1.00 4.04 H new ATOM 0 HD22 LEU A 72 -10.148 -6.026 2.293 1.00 4.04 H new ATOM 0 HD23 LEU A 72 -9.442 -4.841 3.418 1.00 4.04 H new ATOM 1161 N LEU A 73 -11.766 -0.619 2.419 1.00 41.41 N ATOM 1162 CA LEU A 73 -12.401 0.480 1.683 1.00 50.45 C ATOM 1163 C LEU A 73 -11.812 0.621 0.267 1.00 64.21 C ATOM 1164 O LEU A 73 -10.593 0.580 0.087 1.00 40.20 O ATOM 1165 CB LEU A 73 -12.242 1.802 2.452 1.00 71.35 C ATOM 1166 CG LEU A 73 -13.002 1.888 3.788 1.00 10.31 C ATOM 1167 CD1 LEU A 73 -12.756 3.237 4.464 1.00 64.24 C ATOM 1168 CD2 LEU A 73 -14.496 1.655 3.577 1.00 41.20 C ATOM 0 H LEU A 73 -11.120 -0.317 3.148 1.00 41.41 H new ATOM 0 HA LEU A 73 -13.461 0.246 1.588 1.00 50.45 H new ATOM 0 HB2 LEU A 73 -11.182 1.964 2.646 1.00 71.35 H new ATOM 0 HB3 LEU A 73 -12.577 2.617 1.811 1.00 71.35 H new ATOM 0 HG LEU A 73 -12.625 1.104 4.444 1.00 10.31 H new ATOM 0 HD11 LEU A 73 -13.302 3.277 5.406 1.00 64.24 H new ATOM 0 HD12 LEU A 73 -11.690 3.358 4.657 1.00 64.24 H new ATOM 0 HD13 LEU A 73 -13.100 4.039 3.811 1.00 64.24 H new ATOM 0 HD21 LEU A 73 -15.013 1.720 4.534 1.00 41.20 H new ATOM 0 HD22 LEU A 73 -14.890 2.412 2.899 1.00 41.20 H new ATOM 0 HD23 LEU A 73 -14.653 0.666 3.147 1.00 41.20 H new ATOM 1180 N PRO A 74 -12.674 0.810 -0.758 1.00 74.11 N ATOM 1181 CA PRO A 74 -12.239 0.888 -2.168 1.00 54.45 C ATOM 1182 C PRO A 74 -11.274 2.051 -2.446 1.00 71.24 C ATOM 1183 O PRO A 74 -10.438 1.968 -3.346 1.00 33.02 O ATOM 1184 CB PRO A 74 -13.556 1.075 -2.947 1.00 15.42 C ATOM 1185 CG PRO A 74 -14.522 1.603 -1.942 1.00 63.23 C ATOM 1186 CD PRO A 74 -14.137 0.968 -0.634 1.00 5.22 C ATOM 0 HA PRO A 74 -11.678 -0.001 -2.457 1.00 54.45 H new ATOM 0 HB2 PRO A 74 -13.429 1.770 -3.777 1.00 15.42 H new ATOM 0 HB3 PRO A 74 -13.902 0.132 -3.371 1.00 15.42 H new ATOM 0 HG2 PRO A 74 -14.468 2.690 -1.880 1.00 63.23 H new ATOM 0 HG3 PRO A 74 -15.547 1.350 -2.213 1.00 63.23 H new ATOM 0 HD2 PRO A 74 -14.404 1.598 0.214 1.00 5.22 H new ATOM 0 HD3 PRO A 74 -14.635 0.010 -0.489 1.00 5.22 H new ATOM 1194 N GLU A 75 -11.393 3.132 -1.679 1.00 65.33 N ATOM 1195 CA GLU A 75 -10.528 4.305 -1.860 1.00 42.14 C ATOM 1196 C GLU A 75 -9.118 4.061 -1.295 1.00 31.15 C ATOM 1197 O GLU A 75 -8.129 4.539 -1.851 1.00 44.45 O ATOM 1198 CB GLU A 75 -11.145 5.559 -1.201 1.00 3.22 C ATOM 1199 CG GLU A 75 -11.340 5.458 0.318 1.00 70.13 C ATOM 1200 CD GLU A 75 -12.757 5.064 0.720 1.00 50.20 C ATOM 1201 OE1 GLU A 75 -13.245 4.018 0.252 1.00 75.42 O ATOM 1202 OE2 GLU A 75 -13.391 5.813 1.497 1.00 73.44 O ATOM 0 H GLU A 75 -12.076 3.224 -0.927 1.00 65.33 H new ATOM 0 HA GLU A 75 -10.444 4.476 -2.933 1.00 42.14 H new ATOM 0 HB2 GLU A 75 -10.506 6.416 -1.415 1.00 3.22 H new ATOM 0 HB3 GLU A 75 -12.111 5.758 -1.665 1.00 3.22 H new ATOM 0 HG2 GLU A 75 -10.639 4.726 0.719 1.00 70.13 H new ATOM 0 HG3 GLU A 75 -11.094 6.417 0.773 1.00 70.13 H new ATOM 1209 N GLU A 76 -9.033 3.288 -0.210 1.00 22.33 N ATOM 1210 CA GLU A 76 -7.760 3.057 0.494 1.00 51.40 C ATOM 1211 C GLU A 76 -6.899 1.971 -0.170 1.00 41.23 C ATOM 1212 O GLU A 76 -5.906 1.524 0.402 1.00 4.30 O ATOM 1213 CB GLU A 76 -8.036 2.672 1.955 1.00 43.12 C ATOM 1214 CG GLU A 76 -8.651 3.793 2.784 1.00 44.02 C ATOM 1215 CD GLU A 76 -7.773 5.034 2.832 1.00 62.34 C ATOM 1216 OE1 GLU A 76 -6.735 5.009 3.525 1.00 34.40 O ATOM 1217 OE2 GLU A 76 -8.110 6.040 2.173 1.00 74.22 O ATOM 0 H GLU A 76 -9.831 2.808 0.205 1.00 22.33 H new ATOM 0 HA GLU A 76 -7.197 3.989 0.446 1.00 51.40 H new ATOM 0 HB2 GLU A 76 -8.704 1.811 1.973 1.00 43.12 H new ATOM 0 HB3 GLU A 76 -7.101 2.360 2.421 1.00 43.12 H new ATOM 0 HG2 GLU A 76 -9.623 4.056 2.368 1.00 44.02 H new ATOM 0 HG3 GLU A 76 -8.825 3.436 3.799 1.00 44.02 H new ATOM 1224 N ALA A 77 -7.270 1.557 -1.375 1.00 22.14 N ATOM 1225 CA ALA A 77 -6.514 0.536 -2.103 1.00 54.21 C ATOM 1226 C ALA A 77 -5.320 1.143 -2.866 1.00 22.01 C ATOM 1227 O ALA A 77 -5.495 1.777 -3.905 1.00 42.13 O ATOM 1228 CB ALA A 77 -7.438 -0.206 -3.062 1.00 42.23 C ATOM 0 H ALA A 77 -8.088 1.910 -1.872 1.00 22.14 H new ATOM 0 HA ALA A 77 -6.110 -0.167 -1.374 1.00 54.21 H new ATOM 0 HB1 ALA A 77 -6.870 -0.964 -3.601 1.00 42.23 H new ATOM 0 HB2 ALA A 77 -8.239 -0.685 -2.498 1.00 42.23 H new ATOM 0 HB3 ALA A 77 -7.867 0.500 -3.773 1.00 42.23 H new ATOM 1234 N ILE A 78 -4.111 0.956 -2.338 1.00 61.22 N ATOM 1235 CA ILE A 78 -2.888 1.409 -3.014 1.00 43.00 C ATOM 1236 C ILE A 78 -2.547 0.489 -4.201 1.00 45.31 C ATOM 1237 O ILE A 78 -2.558 -0.733 -4.073 1.00 12.21 O ATOM 1238 CB ILE A 78 -1.664 1.457 -2.049 1.00 31.22 C ATOM 1239 CG1 ILE A 78 -1.868 2.496 -0.926 1.00 4.23 C ATOM 1240 CG2 ILE A 78 -0.381 1.761 -2.823 1.00 33.02 C ATOM 1241 CD1 ILE A 78 -2.865 2.085 0.139 1.00 12.43 C ATOM 0 H ILE A 78 -3.948 0.494 -1.443 1.00 61.22 H new ATOM 0 HA ILE A 78 -3.089 2.419 -3.370 1.00 43.00 H new ATOM 0 HB ILE A 78 -1.573 0.475 -1.585 1.00 31.22 H new ATOM 0 HG12 ILE A 78 -0.907 2.691 -0.450 1.00 4.23 H new ATOM 0 HG13 ILE A 78 -2.199 3.434 -1.372 1.00 4.23 H new ATOM 0 HG21 ILE A 78 0.462 1.790 -2.133 1.00 33.02 H new ATOM 0 HG22 ILE A 78 -0.213 0.984 -3.568 1.00 33.02 H new ATOM 0 HG23 ILE A 78 -0.476 2.726 -3.321 1.00 33.02 H new ATOM 0 HD11 ILE A 78 -2.945 2.874 0.887 1.00 12.43 H new ATOM 0 HD12 ILE A 78 -3.840 1.920 -0.320 1.00 12.43 H new ATOM 0 HD13 ILE A 78 -2.528 1.165 0.617 1.00 12.43 H new ATOM 1253 N ALA A 79 -2.251 1.077 -5.358 1.00 74.23 N ATOM 1254 CA ALA A 79 -1.900 0.295 -6.549 1.00 52.42 C ATOM 1255 C ALA A 79 -0.408 -0.087 -6.550 1.00 45.35 C ATOM 1256 O ALA A 79 0.459 0.784 -6.563 1.00 22.22 O ATOM 1257 CB ALA A 79 -2.247 1.077 -7.813 1.00 60.12 C ATOM 0 H ALA A 79 -2.246 2.087 -5.500 1.00 74.23 H new ATOM 0 HA ALA A 79 -2.481 -0.627 -6.529 1.00 52.42 H new ATOM 0 HB1 ALA A 79 -1.982 0.487 -8.690 1.00 60.12 H new ATOM 0 HB2 ALA A 79 -3.316 1.289 -7.828 1.00 60.12 H new ATOM 0 HB3 ALA A 79 -1.691 2.014 -7.825 1.00 60.12 H new ATOM 1263 N THR A 80 -0.114 -1.389 -6.549 1.00 21.31 N ATOM 1264 CA THR A 80 1.278 -1.877 -6.550 1.00 73.10 C ATOM 1265 C THR A 80 2.062 -1.373 -7.770 1.00 73.33 C ATOM 1266 O THR A 80 3.206 -0.927 -7.650 1.00 65.20 O ATOM 1267 CB THR A 80 1.335 -3.423 -6.533 1.00 43.32 C ATOM 1268 OG1 THR A 80 0.642 -3.948 -7.679 1.00 64.21 O ATOM 1269 CG2 THR A 80 0.717 -3.984 -5.255 1.00 75.14 C ATOM 0 H THR A 80 -0.817 -2.128 -6.547 1.00 21.31 H new ATOM 0 HA THR A 80 1.737 -1.483 -5.643 1.00 73.10 H new ATOM 0 HB THR A 80 2.382 -3.725 -6.567 1.00 43.32 H new ATOM 0 HG1 THR A 80 0.287 -4.837 -7.468 1.00 64.21 H new ATOM 0 HG21 THR A 80 0.772 -5.073 -5.272 1.00 75.14 H new ATOM 0 HG22 THR A 80 1.263 -3.607 -4.391 1.00 75.14 H new ATOM 0 HG23 THR A 80 -0.326 -3.674 -5.189 1.00 75.14 H new ATOM 1277 N ILE A 81 1.430 -1.435 -8.941 1.00 72.52 N ATOM 1278 CA ILE A 81 2.036 -0.970 -10.199 1.00 55.32 C ATOM 1279 C ILE A 81 2.381 0.539 -10.156 1.00 12.25 C ATOM 1280 O ILE A 81 3.135 1.044 -10.988 1.00 4.12 O ATOM 1281 CB ILE A 81 1.082 -1.257 -11.396 1.00 11.52 C ATOM 1282 CG1 ILE A 81 1.734 -0.892 -12.745 1.00 62.41 C ATOM 1283 CG2 ILE A 81 -0.237 -0.509 -11.218 1.00 11.31 C ATOM 1284 CD1 ILE A 81 2.968 -1.710 -13.074 1.00 20.35 C ATOM 0 H ILE A 81 0.486 -1.807 -9.050 1.00 72.52 H new ATOM 0 HA ILE A 81 2.967 -1.521 -10.331 1.00 55.32 H new ATOM 0 HB ILE A 81 0.880 -2.328 -11.408 1.00 11.52 H new ATOM 0 HG12 ILE A 81 1.000 -1.025 -13.540 1.00 62.41 H new ATOM 0 HG13 ILE A 81 2.003 0.164 -12.733 1.00 62.41 H new ATOM 0 HG21 ILE A 81 -0.892 -0.720 -12.063 1.00 11.31 H new ATOM 0 HG22 ILE A 81 -0.718 -0.834 -10.296 1.00 11.31 H new ATOM 0 HG23 ILE A 81 -0.044 0.563 -11.168 1.00 11.31 H new ATOM 0 HD11 ILE A 81 3.368 -1.394 -14.037 1.00 20.35 H new ATOM 0 HD12 ILE A 81 3.722 -1.559 -12.301 1.00 20.35 H new ATOM 0 HD13 ILE A 81 2.703 -2.766 -13.120 1.00 20.35 H new ATOM 1296 N GLN A 82 1.826 1.251 -9.176 1.00 32.21 N ATOM 1297 CA GLN A 82 2.088 2.687 -9.006 1.00 74.02 C ATOM 1298 C GLN A 82 3.422 2.935 -8.277 1.00 72.21 C ATOM 1299 O GLN A 82 4.025 4.002 -8.407 1.00 51.13 O ATOM 1300 CB GLN A 82 0.931 3.334 -8.225 1.00 21.23 C ATOM 1301 CG GLN A 82 1.084 4.833 -7.980 1.00 13.31 C ATOM 1302 CD GLN A 82 1.123 5.638 -9.266 1.00 70.44 C ATOM 1303 OE1 GLN A 82 0.096 6.066 -9.776 1.00 61.34 O ATOM 1304 NE2 GLN A 82 2.304 5.839 -9.802 1.00 34.03 N ATOM 0 H GLN A 82 1.189 0.858 -8.483 1.00 32.21 H new ATOM 0 HA GLN A 82 2.161 3.139 -9.995 1.00 74.02 H new ATOM 0 HB2 GLN A 82 0.003 3.162 -8.770 1.00 21.23 H new ATOM 0 HB3 GLN A 82 0.834 2.831 -7.263 1.00 21.23 H new ATOM 0 HG2 GLN A 82 0.256 5.182 -7.363 1.00 13.31 H new ATOM 0 HG3 GLN A 82 1.999 5.013 -7.416 1.00 13.31 H new ATOM 0 HE21 GLN A 82 3.139 5.468 -9.350 1.00 34.03 H new ATOM 0 HE22 GLN A 82 2.387 6.367 -10.671 1.00 34.03 H new ATOM 1313 N ILE A 83 3.880 1.937 -7.522 1.00 65.42 N ATOM 1314 CA ILE A 83 5.070 2.079 -6.674 1.00 1.13 C ATOM 1315 C ILE A 83 6.372 1.800 -7.452 1.00 52.10 C ATOM 1316 O ILE A 83 6.550 0.724 -8.022 1.00 34.22 O ATOM 1317 CB ILE A 83 5.001 1.113 -5.466 1.00 53.21 C ATOM 1318 CG1 ILE A 83 3.636 1.212 -4.762 1.00 22.01 C ATOM 1319 CG2 ILE A 83 6.141 1.391 -4.483 1.00 63.33 C ATOM 1320 CD1 ILE A 83 3.294 2.597 -4.254 1.00 44.01 C ATOM 0 H ILE A 83 3.444 1.016 -7.478 1.00 65.42 H new ATOM 0 HA ILE A 83 5.082 3.113 -6.328 1.00 1.13 H new ATOM 0 HB ILE A 83 5.115 0.095 -5.840 1.00 53.21 H new ATOM 0 HG12 ILE A 83 2.859 0.890 -5.455 1.00 22.01 H new ATOM 0 HG13 ILE A 83 3.622 0.517 -3.923 1.00 22.01 H new ATOM 0 HG21 ILE A 83 6.073 0.701 -3.642 1.00 63.33 H new ATOM 0 HG22 ILE A 83 7.098 1.255 -4.987 1.00 63.33 H new ATOM 0 HG23 ILE A 83 6.065 2.415 -4.118 1.00 63.33 H new ATOM 0 HD11 ILE A 83 2.317 2.577 -3.772 1.00 44.01 H new ATOM 0 HD12 ILE A 83 4.047 2.917 -3.534 1.00 44.01 H new ATOM 0 HD13 ILE A 83 3.272 3.296 -5.090 1.00 44.01 H new ATOM 1332 N ALA A 84 7.283 2.772 -7.458 1.00 43.02 N ATOM 1333 CA ALA A 84 8.584 2.622 -8.129 1.00 13.12 C ATOM 1334 C ALA A 84 9.509 1.643 -7.390 1.00 45.25 C ATOM 1335 O ALA A 84 10.357 0.991 -7.998 1.00 54.24 O ATOM 1336 CB ALA A 84 9.262 3.983 -8.267 1.00 34.11 C ATOM 0 H ALA A 84 7.148 3.676 -7.006 1.00 43.02 H new ATOM 0 HA ALA A 84 8.395 2.206 -9.118 1.00 13.12 H new ATOM 0 HB1 ALA A 84 10.224 3.861 -8.765 1.00 34.11 H new ATOM 0 HB2 ALA A 84 8.630 4.646 -8.857 1.00 34.11 H new ATOM 0 HB3 ALA A 84 9.417 4.414 -7.278 1.00 34.11 H new ATOM 1342 N ASN A 85 9.329 1.538 -6.076 1.00 3.33 N ATOM 1343 CA ASN A 85 10.190 0.697 -5.233 1.00 24.45 C ATOM 1344 C ASN A 85 9.881 -0.806 -5.380 1.00 45.31 C ATOM 1345 O ASN A 85 10.516 -1.645 -4.735 1.00 20.34 O ATOM 1346 CB ASN A 85 10.050 1.124 -3.769 1.00 10.52 C ATOM 1347 CG ASN A 85 10.360 2.596 -3.569 1.00 12.44 C ATOM 1348 OD1 ASN A 85 9.480 3.444 -3.656 1.00 43.23 O ATOM 1349 ND2 ASN A 85 11.610 2.913 -3.308 1.00 74.11 N ATOM 0 H ASN A 85 8.593 2.025 -5.565 1.00 3.33 H new ATOM 0 HA ASN A 85 11.217 0.842 -5.569 1.00 24.45 H new ATOM 0 HB2 ASN A 85 9.035 0.919 -3.428 1.00 10.52 H new ATOM 0 HB3 ASN A 85 10.721 0.526 -3.152 1.00 10.52 H new ATOM 0 HD21 ASN A 85 11.871 3.890 -3.171 1.00 74.11 H new ATOM 0 HD22 ASN A 85 12.318 2.182 -3.242 1.00 74.11 H new ATOM 1356 N PHE A 86 8.898 -1.140 -6.214 1.00 33.12 N ATOM 1357 CA PHE A 86 8.592 -2.541 -6.538 1.00 42.32 C ATOM 1358 C PHE A 86 9.280 -2.969 -7.847 1.00 3.21 C ATOM 1359 O PHE A 86 8.966 -2.444 -8.920 1.00 62.52 O ATOM 1360 CB PHE A 86 7.071 -2.759 -6.668 1.00 43.35 C ATOM 1361 CG PHE A 86 6.382 -3.121 -5.372 1.00 41.11 C ATOM 1362 CD1 PHE A 86 6.252 -4.450 -4.986 1.00 3.33 C ATOM 1363 CD2 PHE A 86 5.860 -2.139 -4.545 1.00 52.22 C ATOM 1364 CE1 PHE A 86 5.616 -4.787 -3.804 1.00 12.01 C ATOM 1365 CE2 PHE A 86 5.222 -2.471 -3.365 1.00 62.52 C ATOM 1366 CZ PHE A 86 5.100 -3.796 -2.993 1.00 35.21 C ATOM 0 H PHE A 86 8.296 -0.462 -6.681 1.00 33.12 H new ATOM 0 HA PHE A 86 8.972 -3.152 -5.719 1.00 42.32 H new ATOM 0 HB2 PHE A 86 6.618 -1.851 -7.065 1.00 43.35 H new ATOM 0 HB3 PHE A 86 6.890 -3.550 -7.396 1.00 43.35 H new ATOM 0 HD1 PHE A 86 6.653 -5.230 -5.617 1.00 3.33 H new ATOM 0 HD2 PHE A 86 5.953 -1.100 -4.826 1.00 52.22 H new ATOM 0 HE1 PHE A 86 5.523 -5.824 -3.516 1.00 12.01 H new ATOM 0 HE2 PHE A 86 4.818 -1.694 -2.733 1.00 62.52 H new ATOM 0 HZ PHE A 86 4.602 -4.056 -2.070 1.00 35.21 H new