USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 447 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 22 THR OG1 : rot -68:sc= 0.249 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 32 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.879 K(o=0.88,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.61) USER MOD Single : A 51 MET CE :methyl -158:sc= -0.14 (180deg=-0.718) USER MOD Single : A 52 MET CE :methyl 161:sc= -0.0932 (180deg=-0.497) USER MOD Single : A 53 SER OG : rot 82:sc= 1.06 USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= 0.758 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.264 K(o=0.26,f=-2.4!) USER MOD Single : A 61 GLN : amide:sc= -0.0971 K(o=-0.097,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.910 -5.815 12.152 1.00 11.12 N ATOM 330 CA LEU A 21 8.646 -4.708 11.500 1.00 45.31 C ATOM 331 C LEU A 21 9.825 -5.254 10.661 1.00 12.51 C ATOM 332 O LEU A 21 11.004 -4.963 10.904 1.00 14.30 O ATOM 333 CB LEU A 21 9.054 -3.592 12.500 1.00 74.33 C ATOM 334 CG LEU A 21 7.863 -2.871 13.206 1.00 35.15 C ATOM 335 CD1 LEU A 21 8.365 -1.800 14.187 1.00 25.05 C ATOM 336 CD2 LEU A 21 6.870 -2.262 12.177 1.00 25.04 C ATOM 0 HA LEU A 21 7.967 -4.217 10.803 1.00 45.31 H new ATOM 0 HB2 LEU A 21 9.700 -4.027 13.263 1.00 74.33 H new ATOM 0 HB3 LEU A 21 9.646 -2.847 11.968 1.00 74.33 H new ATOM 0 HG LEU A 21 7.321 -3.624 13.778 1.00 35.15 H new ATOM 0 HD11 LEU A 21 7.513 -1.315 14.663 1.00 25.05 H new ATOM 0 HD12 LEU A 21 8.989 -2.268 14.949 1.00 25.05 H new ATOM 0 HD13 LEU A 21 8.950 -1.056 13.646 1.00 25.05 H new ATOM 0 HD21 LEU A 21 6.055 -1.769 12.706 1.00 25.04 H new ATOM 0 HD22 LEU A 21 7.391 -1.535 11.555 1.00 25.04 H new ATOM 0 HD23 LEU A 21 6.467 -3.055 11.547 1.00 25.04 H new ATOM 348 N THR A 22 9.451 -6.115 9.696 1.00 11.01 N ATOM 349 CA THR A 22 10.357 -6.672 8.670 1.00 45.40 C ATOM 350 C THR A 22 10.552 -5.644 7.531 1.00 34.33 C ATOM 351 O THR A 22 9.921 -4.593 7.559 1.00 52.31 O ATOM 352 CB THR A 22 9.782 -8.002 8.070 1.00 21.24 C ATOM 353 OG1 THR A 22 8.620 -7.729 7.262 1.00 41.24 O ATOM 354 CG2 THR A 22 9.407 -9.019 9.166 1.00 54.32 C ATOM 0 H THR A 22 8.492 -6.450 9.605 1.00 11.01 H new ATOM 0 HA THR A 22 11.313 -6.889 9.146 1.00 45.40 H new ATOM 0 HB THR A 22 10.570 -8.438 7.455 1.00 21.24 H new ATOM 0 HG1 THR A 22 7.888 -7.418 7.835 1.00 41.24 H new ATOM 0 HG21 THR A 22 9.013 -9.924 8.703 1.00 54.32 H new ATOM 0 HG22 THR A 22 10.293 -9.266 9.751 1.00 54.32 H new ATOM 0 HG23 THR A 22 8.649 -8.587 9.820 1.00 54.32 H new ATOM 362 N ARG A 23 11.372 -5.980 6.510 1.00 71.44 N ATOM 363 CA ARG A 23 11.763 -5.033 5.424 1.00 65.20 C ATOM 364 C ARG A 23 10.553 -4.327 4.751 1.00 24.22 C ATOM 365 O ARG A 23 10.597 -3.120 4.527 1.00 25.32 O ATOM 366 CB ARG A 23 12.604 -5.768 4.362 1.00 34.12 C ATOM 367 CG ARG A 23 13.962 -6.293 4.868 1.00 21.35 C ATOM 368 CD ARG A 23 14.724 -7.060 3.782 1.00 75.15 C ATOM 369 NE ARG A 23 16.091 -7.427 4.206 1.00 63.31 N ATOM 370 CZ ARG A 23 16.679 -8.588 3.996 1.00 35.24 C ATOM 371 NH1 ARG A 23 16.025 -9.602 3.511 1.00 33.41 N ATOM 372 NH2 ARG A 23 17.930 -8.738 4.302 1.00 53.14 N ATOM 0 H ARG A 23 11.783 -6.908 6.409 1.00 71.44 H new ATOM 0 HA ARG A 23 12.354 -4.248 5.896 1.00 65.20 H new ATOM 0 HB2 ARG A 23 12.025 -6.608 3.977 1.00 34.12 H new ATOM 0 HB3 ARG A 23 12.780 -5.092 3.525 1.00 34.12 H new ATOM 0 HG2 ARG A 23 14.568 -5.455 5.213 1.00 21.35 H new ATOM 0 HG3 ARG A 23 13.801 -6.945 5.727 1.00 21.35 H new ATOM 0 HD2 ARG A 23 14.172 -7.964 3.524 1.00 75.15 H new ATOM 0 HD3 ARG A 23 14.778 -6.450 2.880 1.00 75.15 H new ATOM 0 HE ARG A 23 16.628 -6.718 4.706 1.00 63.31 H new ATOM 0 HH11 ARG A 23 15.035 -9.509 3.284 1.00 33.41 H new ATOM 0 HH12 ARG A 23 16.502 -10.490 3.357 1.00 33.41 H new ATOM 0 HH21 ARG A 23 18.454 -7.960 4.703 1.00 53.14 H new ATOM 0 HH22 ARG A 23 18.390 -9.634 4.142 1.00 53.14 H new ATOM 386 N ASP A 24 9.474 -5.086 4.474 1.00 15.13 N ATOM 387 CA ASP A 24 8.221 -4.537 3.889 1.00 20.44 C ATOM 388 C ASP A 24 7.610 -3.420 4.788 1.00 62.41 C ATOM 389 O ASP A 24 7.217 -2.349 4.309 1.00 51.01 O ATOM 390 CB ASP A 24 7.187 -5.676 3.693 1.00 43.33 C ATOM 391 CG ASP A 24 7.722 -6.842 2.852 1.00 23.43 C ATOM 392 OD1 ASP A 24 7.840 -6.696 1.618 1.00 23.15 O ATOM 393 OD2 ASP A 24 8.053 -7.909 3.420 1.00 44.43 O ATOM 0 H ASP A 24 9.440 -6.091 4.646 1.00 15.13 H new ATOM 0 HA ASP A 24 8.469 -4.095 2.924 1.00 20.44 H new ATOM 0 HB2 ASP A 24 6.881 -6.052 4.669 1.00 43.33 H new ATOM 0 HB3 ASP A 24 6.296 -5.270 3.214 1.00 43.33 H new ATOM 398 N GLU A 25 7.575 -3.699 6.102 1.00 42.24 N ATOM 399 CA GLU A 25 7.026 -2.788 7.140 1.00 11.51 C ATOM 400 C GLU A 25 7.958 -1.578 7.412 1.00 32.25 C ATOM 401 O GLU A 25 7.492 -0.505 7.795 1.00 54.21 O ATOM 402 CB GLU A 25 6.807 -3.596 8.446 1.00 30.12 C ATOM 403 CG GLU A 25 5.823 -4.782 8.312 1.00 2.30 C ATOM 404 CD GLU A 25 5.894 -5.766 9.492 1.00 14.13 C ATOM 405 OE1 GLU A 25 5.356 -5.459 10.569 1.00 34.52 O ATOM 406 OE2 GLU A 25 6.533 -6.834 9.361 1.00 21.42 O ATOM 0 H GLU A 25 7.931 -4.574 6.486 1.00 42.24 H new ATOM 0 HA GLU A 25 6.081 -2.385 6.777 1.00 11.51 H new ATOM 0 HB2 GLU A 25 7.769 -3.976 8.788 1.00 30.12 H new ATOM 0 HB3 GLU A 25 6.438 -2.921 9.218 1.00 30.12 H new ATOM 0 HG2 GLU A 25 4.807 -4.395 8.231 1.00 2.30 H new ATOM 0 HG3 GLU A 25 6.035 -5.318 7.387 1.00 2.30 H new ATOM 413 N LEU A 26 9.273 -1.778 7.217 1.00 52.43 N ATOM 414 CA LEU A 26 10.295 -0.714 7.371 1.00 51.14 C ATOM 415 C LEU A 26 10.197 0.315 6.216 1.00 50.53 C ATOM 416 O LEU A 26 10.440 1.510 6.408 1.00 20.14 O ATOM 417 CB LEU A 26 11.713 -1.345 7.417 1.00 11.24 C ATOM 418 CG LEU A 26 11.978 -2.367 8.573 1.00 2.12 C ATOM 419 CD1 LEU A 26 13.369 -3.036 8.441 1.00 12.55 C ATOM 420 CD2 LEU A 26 11.790 -1.718 9.965 1.00 3.02 C ATOM 0 H LEU A 26 9.663 -2.681 6.948 1.00 52.43 H new ATOM 0 HA LEU A 26 10.111 -0.188 8.308 1.00 51.14 H new ATOM 0 HB2 LEU A 26 11.895 -1.848 6.467 1.00 11.24 H new ATOM 0 HB3 LEU A 26 12.444 -0.540 7.497 1.00 11.24 H new ATOM 0 HG LEU A 26 11.231 -3.155 8.479 1.00 2.12 H new ATOM 0 HD11 LEU A 26 13.514 -3.738 9.262 1.00 12.55 H new ATOM 0 HD12 LEU A 26 13.428 -3.570 7.492 1.00 12.55 H new ATOM 0 HD13 LEU A 26 14.145 -2.272 8.476 1.00 12.55 H new ATOM 0 HD21 LEU A 26 11.983 -2.459 10.741 1.00 3.02 H new ATOM 0 HD22 LEU A 26 12.486 -0.887 10.076 1.00 3.02 H new ATOM 0 HD23 LEU A 26 10.768 -1.350 10.060 1.00 3.02 H new ATOM 432 N ARG A 27 9.851 -0.193 5.017 1.00 71.21 N ATOM 433 CA ARG A 27 9.567 0.635 3.823 1.00 13.44 C ATOM 434 C ARG A 27 8.221 1.378 3.984 1.00 43.32 C ATOM 435 O ARG A 27 8.098 2.554 3.616 1.00 53.31 O ATOM 436 CB ARG A 27 9.534 -0.271 2.563 1.00 2.01 C ATOM 437 CG ARG A 27 10.876 -0.982 2.258 1.00 73.54 C ATOM 438 CD ARG A 27 10.726 -2.145 1.258 1.00 3.43 C ATOM 439 NE ARG A 27 10.331 -1.686 -0.075 1.00 3.01 N ATOM 440 CZ ARG A 27 9.656 -2.387 -0.961 1.00 53.23 C ATOM 441 NH1 ARG A 27 9.200 -3.575 -0.695 1.00 31.02 N ATOM 442 NH2 ARG A 27 9.413 -1.878 -2.116 1.00 51.03 N ATOM 0 H ARG A 27 9.760 -1.194 4.846 1.00 71.21 H new ATOM 0 HA ARG A 27 10.355 1.380 3.712 1.00 13.44 H new ATOM 0 HB2 ARG A 27 8.757 -1.025 2.691 1.00 2.01 H new ATOM 0 HB3 ARG A 27 9.252 0.334 1.701 1.00 2.01 H new ATOM 0 HG2 ARG A 27 11.584 -0.255 1.859 1.00 73.54 H new ATOM 0 HG3 ARG A 27 11.300 -1.362 3.188 1.00 73.54 H new ATOM 0 HD2 ARG A 27 11.670 -2.685 1.189 1.00 3.43 H new ATOM 0 HD3 ARG A 27 9.983 -2.849 1.632 1.00 3.43 H new ATOM 0 HE ARG A 27 10.603 -0.739 -0.340 1.00 3.01 H new ATOM 0 HH11 ARG A 27 9.362 -3.990 0.223 1.00 31.02 H new ATOM 0 HH12 ARG A 27 8.680 -4.092 -1.404 1.00 31.02 H new ATOM 0 HH21 ARG A 27 9.743 -0.939 -2.339 1.00 51.03 H new ATOM 0 HH22 ARG A 27 8.891 -2.413 -2.810 1.00 51.03 H new ATOM 456 N ALA A 28 7.221 0.664 4.543 1.00 62.04 N ATOM 457 CA ALA A 28 5.884 1.227 4.842 1.00 23.24 C ATOM 458 C ALA A 28 5.985 2.393 5.858 1.00 44.34 C ATOM 459 O ALA A 28 5.357 3.435 5.682 1.00 2.45 O ATOM 460 CB ALA A 28 4.942 0.115 5.350 1.00 11.43 C ATOM 0 H ALA A 28 7.316 -0.318 4.800 1.00 62.04 H new ATOM 0 HA ALA A 28 5.464 1.636 3.923 1.00 23.24 H new ATOM 0 HB1 ALA A 28 3.962 0.539 5.567 1.00 11.43 H new ATOM 0 HB2 ALA A 28 4.843 -0.655 4.585 1.00 11.43 H new ATOM 0 HB3 ALA A 28 5.355 -0.326 6.257 1.00 11.43 H new ATOM 466 N LYS A 29 6.827 2.214 6.893 1.00 12.54 N ATOM 467 CA LYS A 29 7.106 3.268 7.902 1.00 74.23 C ATOM 468 C LYS A 29 7.905 4.446 7.277 1.00 44.14 C ATOM 469 O LYS A 29 7.717 5.606 7.659 1.00 31.15 O ATOM 470 CB LYS A 29 7.887 2.667 9.106 1.00 44.01 C ATOM 471 CG LYS A 29 8.094 3.641 10.296 1.00 54.31 C ATOM 472 CD LYS A 29 6.777 3.965 11.049 1.00 72.15 C ATOM 473 CE LYS A 29 6.923 5.143 12.028 1.00 31.20 C ATOM 474 NZ LYS A 29 8.007 4.941 13.022 1.00 42.12 N ATOM 0 H LYS A 29 7.333 1.344 7.058 1.00 12.54 H new ATOM 0 HA LYS A 29 6.152 3.658 8.256 1.00 74.23 H new ATOM 0 HB2 LYS A 29 7.354 1.786 9.464 1.00 44.01 H new ATOM 0 HB3 LYS A 29 8.863 2.329 8.757 1.00 44.01 H new ATOM 0 HG2 LYS A 29 8.808 3.206 10.995 1.00 54.31 H new ATOM 0 HG3 LYS A 29 8.533 4.568 9.928 1.00 54.31 H new ATOM 0 HD2 LYS A 29 5.997 4.196 10.324 1.00 72.15 H new ATOM 0 HD3 LYS A 29 6.451 3.081 11.597 1.00 72.15 H new ATOM 0 HE2 LYS A 29 7.120 6.055 11.464 1.00 31.20 H new ATOM 0 HE3 LYS A 29 5.979 5.291 12.553 1.00 31.20 H new ATOM 0 HZ1 LYS A 29 8.013 5.734 13.695 1.00 42.12 H new ATOM 0 HZ2 LYS A 29 7.845 4.052 13.536 1.00 42.12 H new ATOM 0 HZ3 LYS A 29 8.923 4.896 12.532 1.00 42.12 H new ATOM 488 N ALA A 30 8.780 4.126 6.301 1.00 22.02 N ATOM 489 CA ALA A 30 9.628 5.119 5.598 1.00 62.44 C ATOM 490 C ALA A 30 8.792 6.144 4.788 1.00 3.31 C ATOM 491 O ALA A 30 9.083 7.342 4.799 1.00 74.55 O ATOM 492 CB ALA A 30 10.632 4.403 4.675 1.00 61.02 C ATOM 0 H ALA A 30 8.921 3.170 5.975 1.00 22.02 H new ATOM 0 HA ALA A 30 10.169 5.678 6.362 1.00 62.44 H new ATOM 0 HB1 ALA A 30 11.249 5.143 4.165 1.00 61.02 H new ATOM 0 HB2 ALA A 30 11.269 3.747 5.269 1.00 61.02 H new ATOM 0 HB3 ALA A 30 10.090 3.811 3.937 1.00 61.02 H new ATOM 498 N LEU A 31 7.757 5.655 4.077 1.00 31.24 N ATOM 499 CA LEU A 31 6.874 6.506 3.231 1.00 42.15 C ATOM 500 C LEU A 31 5.497 6.781 3.898 1.00 30.22 C ATOM 501 O LEU A 31 4.596 7.316 3.255 1.00 71.20 O ATOM 502 CB LEU A 31 6.718 5.850 1.828 1.00 74.53 C ATOM 503 CG LEU A 31 8.037 5.775 0.980 1.00 44.51 C ATOM 504 CD1 LEU A 31 7.830 5.005 -0.337 1.00 30.31 C ATOM 505 CD2 LEU A 31 8.608 7.190 0.699 1.00 51.12 C ATOM 0 H LEU A 31 7.504 4.667 4.068 1.00 31.24 H new ATOM 0 HA LEU A 31 7.345 7.482 3.117 1.00 42.15 H new ATOM 0 HB2 LEU A 31 6.329 4.840 1.957 1.00 74.53 H new ATOM 0 HB3 LEU A 31 5.972 6.409 1.263 1.00 74.53 H new ATOM 0 HG LEU A 31 8.765 5.224 1.575 1.00 44.51 H new ATOM 0 HD11 LEU A 31 8.767 4.977 -0.893 1.00 30.31 H new ATOM 0 HD12 LEU A 31 7.508 3.987 -0.117 1.00 30.31 H new ATOM 0 HD13 LEU A 31 7.068 5.505 -0.935 1.00 30.31 H new ATOM 0 HD21 LEU A 31 9.521 7.104 0.110 1.00 51.12 H new ATOM 0 HD22 LEU A 31 7.874 7.776 0.146 1.00 51.12 H new ATOM 0 HD23 LEU A 31 8.831 7.686 1.643 1.00 51.12 H new ATOM 517 N HIS A 32 5.374 6.431 5.197 1.00 72.10 N ATOM 518 CA HIS A 32 4.191 6.734 6.048 1.00 14.44 C ATOM 519 C HIS A 32 2.862 6.158 5.467 1.00 23.14 C ATOM 520 O HIS A 32 1.883 6.879 5.239 1.00 3.42 O ATOM 521 CB HIS A 32 4.093 8.268 6.338 1.00 21.24 C ATOM 522 CG HIS A 32 3.091 8.644 7.413 1.00 22.11 C ATOM 523 ND1 HIS A 32 1.758 8.880 7.151 1.00 74.32 N ATOM 524 CD2 HIS A 32 3.228 8.785 8.755 1.00 14.41 C ATOM 525 CE1 HIS A 32 1.129 9.145 8.273 1.00 65.54 C ATOM 526 NE2 HIS A 32 1.994 9.093 9.262 1.00 31.03 N ATOM 0 H HIS A 32 6.103 5.922 5.696 1.00 72.10 H new ATOM 0 HA HIS A 32 4.341 6.223 6.999 1.00 14.44 H new ATOM 0 HB2 HIS A 32 5.077 8.632 6.633 1.00 21.24 H new ATOM 0 HB3 HIS A 32 3.826 8.783 5.415 1.00 21.24 H new ATOM 0 HD1 HIS A 32 1.326 8.853 6.227 1.00 74.32 H new ATOM 0 HD2 HIS A 32 4.142 8.675 9.320 1.00 14.41 H new ATOM 0 HE1 HIS A 32 0.077 9.368 8.368 1.00 65.54 H new ATOM 535 N ILE A 33 2.847 4.844 5.225 1.00 24.01 N ATOM 536 CA ILE A 33 1.628 4.111 4.830 1.00 72.15 C ATOM 537 C ILE A 33 0.758 3.821 6.090 1.00 42.11 C ATOM 538 O ILE A 33 1.248 3.188 7.032 1.00 14.24 O ATOM 539 CB ILE A 33 1.990 2.756 4.105 1.00 11.50 C ATOM 540 CG1 ILE A 33 2.930 3.006 2.875 1.00 62.34 C ATOM 541 CG2 ILE A 33 0.716 1.983 3.684 1.00 70.42 C ATOM 542 CD1 ILE A 33 2.346 3.883 1.774 1.00 25.54 C ATOM 0 H ILE A 33 3.676 4.254 5.296 1.00 24.01 H new ATOM 0 HA ILE A 33 1.066 4.731 4.132 1.00 72.15 H new ATOM 0 HB ILE A 33 2.531 2.136 4.819 1.00 11.50 H new ATOM 0 HG12 ILE A 33 3.852 3.465 3.231 1.00 62.34 H new ATOM 0 HG13 ILE A 33 3.200 2.042 2.444 1.00 62.34 H new ATOM 0 HG21 ILE A 33 1.001 1.055 3.188 1.00 70.42 H new ATOM 0 HG22 ILE A 33 0.121 1.754 4.568 1.00 70.42 H new ATOM 0 HG23 ILE A 33 0.129 2.595 3.000 1.00 70.42 H new ATOM 0 HD11 ILE A 33 3.075 3.993 0.971 1.00 25.54 H new ATOM 0 HD12 ILE A 33 1.441 3.419 1.381 1.00 25.54 H new ATOM 0 HD13 ILE A 33 2.103 4.865 2.181 1.00 25.54 H new ATOM 554 N PRO A 34 -0.529 4.312 6.148 1.00 60.21 N ATOM 555 CA PRO A 34 -1.422 4.089 7.325 1.00 33.25 C ATOM 556 C PRO A 34 -1.887 2.616 7.467 1.00 51.32 C ATOM 557 O PRO A 34 -2.251 2.175 8.559 1.00 45.41 O ATOM 558 CB PRO A 34 -2.615 5.042 7.040 1.00 52.42 C ATOM 559 CG PRO A 34 -2.656 5.144 5.548 1.00 63.22 C ATOM 560 CD PRO A 34 -1.209 5.128 5.098 1.00 72.44 C ATOM 0 HA PRO A 34 -0.917 4.290 8.270 1.00 33.25 H new ATOM 0 HB2 PRO A 34 -3.548 4.642 7.437 1.00 52.42 H new ATOM 0 HB3 PRO A 34 -2.464 6.018 7.502 1.00 52.42 H new ATOM 0 HG2 PRO A 34 -3.211 4.312 5.113 1.00 63.22 H new ATOM 0 HG3 PRO A 34 -3.155 6.060 5.231 1.00 63.22 H new ATOM 0 HD2 PRO A 34 -1.101 4.682 4.109 1.00 72.44 H new ATOM 0 HD3 PRO A 34 -0.795 6.135 5.041 1.00 72.44 H new ATOM 568 N PHE A 35 -1.876 1.873 6.346 1.00 2.42 N ATOM 569 CA PHE A 35 -2.236 0.441 6.317 1.00 61.41 C ATOM 570 C PHE A 35 -1.006 -0.442 6.653 1.00 72.44 C ATOM 571 O PHE A 35 0.135 -0.039 6.387 1.00 70.52 O ATOM 572 CB PHE A 35 -2.755 0.040 4.910 1.00 13.34 C ATOM 573 CG PHE A 35 -3.871 0.925 4.351 1.00 4.34 C ATOM 574 CD1 PHE A 35 -5.170 0.848 4.858 1.00 34.52 C ATOM 575 CD2 PHE A 35 -3.622 1.830 3.316 1.00 31.44 C ATOM 576 CE1 PHE A 35 -6.178 1.648 4.352 1.00 15.53 C ATOM 577 CE2 PHE A 35 -4.633 2.628 2.812 1.00 65.22 C ATOM 578 CZ PHE A 35 -5.910 2.535 3.326 1.00 62.12 C ATOM 0 H PHE A 35 -1.617 2.247 5.433 1.00 2.42 H new ATOM 0 HA PHE A 35 -3.016 0.283 7.061 1.00 61.41 H new ATOM 0 HB2 PHE A 35 -1.917 0.056 4.213 1.00 13.34 H new ATOM 0 HB3 PHE A 35 -3.115 -0.988 4.952 1.00 13.34 H new ATOM 0 HD1 PHE A 35 -5.390 0.154 5.656 1.00 34.52 H new ATOM 0 HD2 PHE A 35 -2.627 1.907 2.904 1.00 31.44 H new ATOM 0 HE1 PHE A 35 -7.176 1.580 4.759 1.00 15.53 H new ATOM 0 HE2 PHE A 35 -4.422 3.325 2.015 1.00 65.22 H new ATOM 0 HZ PHE A 35 -6.700 3.155 2.927 1.00 62.12 H new ATOM 588 N PRO A 36 -1.212 -1.667 7.227 1.00 42.11 N ATOM 589 CA PRO A 36 -0.152 -2.702 7.255 1.00 5.51 C ATOM 590 C PRO A 36 0.076 -3.317 5.847 1.00 43.51 C ATOM 591 O PRO A 36 -0.757 -3.158 4.934 1.00 75.32 O ATOM 592 CB PRO A 36 -0.702 -3.744 8.261 1.00 32.42 C ATOM 593 CG PRO A 36 -2.189 -3.604 8.163 1.00 64.02 C ATOM 594 CD PRO A 36 -2.444 -2.126 7.931 1.00 72.15 C ATOM 0 HA PRO A 36 0.823 -2.311 7.546 1.00 5.51 H new ATOM 0 HB2 PRO A 36 -0.380 -4.753 8.004 1.00 32.42 H new ATOM 0 HB3 PRO A 36 -0.350 -3.544 9.273 1.00 32.42 H new ATOM 0 HG2 PRO A 36 -2.586 -4.204 7.344 1.00 64.02 H new ATOM 0 HG3 PRO A 36 -2.676 -3.948 9.075 1.00 64.02 H new ATOM 0 HD2 PRO A 36 -3.336 -1.963 7.327 1.00 72.15 H new ATOM 0 HD3 PRO A 36 -2.593 -1.592 8.870 1.00 72.15 H new ATOM 602 N VAL A 37 1.201 -4.032 5.687 1.00 4.01 N ATOM 603 CA VAL A 37 1.575 -4.684 4.410 1.00 45.00 C ATOM 604 C VAL A 37 0.508 -5.729 3.995 1.00 73.23 C ATOM 605 O VAL A 37 0.157 -5.852 2.818 1.00 60.31 O ATOM 606 CB VAL A 37 2.989 -5.359 4.543 1.00 61.43 C ATOM 607 CG1 VAL A 37 3.449 -6.041 3.233 1.00 62.15 C ATOM 608 CG2 VAL A 37 4.029 -4.326 5.027 1.00 61.13 C ATOM 0 H VAL A 37 1.880 -4.178 6.434 1.00 4.01 H new ATOM 0 HA VAL A 37 1.623 -3.923 3.631 1.00 45.00 H new ATOM 0 HB VAL A 37 2.902 -6.151 5.287 1.00 61.43 H new ATOM 0 HG11 VAL A 37 4.431 -6.490 3.382 1.00 62.15 H new ATOM 0 HG12 VAL A 37 2.734 -6.815 2.955 1.00 62.15 H new ATOM 0 HG13 VAL A 37 3.507 -5.298 2.437 1.00 62.15 H new ATOM 0 HG21 VAL A 37 5.004 -4.805 5.115 1.00 61.13 H new ATOM 0 HG22 VAL A 37 4.090 -3.508 4.309 1.00 61.13 H new ATOM 0 HG23 VAL A 37 3.728 -3.934 5.999 1.00 61.13 H new ATOM 618 N GLU A 38 -0.027 -6.425 5.009 1.00 43.41 N ATOM 619 CA GLU A 38 -1.069 -7.462 4.857 1.00 22.44 C ATOM 620 C GLU A 38 -2.353 -6.878 4.194 1.00 43.31 C ATOM 621 O GLU A 38 -2.859 -7.427 3.216 1.00 72.05 O ATOM 622 CB GLU A 38 -1.428 -8.083 6.249 1.00 23.13 C ATOM 623 CG GLU A 38 -0.243 -8.678 7.071 1.00 15.04 C ATOM 624 CD GLU A 38 0.651 -7.612 7.762 1.00 52.44 C ATOM 625 OE1 GLU A 38 0.217 -7.043 8.789 1.00 54.44 O ATOM 626 OE2 GLU A 38 1.768 -7.325 7.263 1.00 4.25 O ATOM 0 H GLU A 38 0.255 -6.283 5.979 1.00 43.41 H new ATOM 0 HA GLU A 38 -0.670 -8.241 4.208 1.00 22.44 H new ATOM 0 HB2 GLU A 38 -1.909 -7.313 6.852 1.00 23.13 H new ATOM 0 HB3 GLU A 38 -2.164 -8.871 6.092 1.00 23.13 H new ATOM 0 HG2 GLU A 38 -0.643 -9.348 7.832 1.00 15.04 H new ATOM 0 HG3 GLU A 38 0.377 -9.282 6.408 1.00 15.04 H new ATOM 633 N LYS A 39 -2.820 -5.728 4.724 1.00 72.24 N ATOM 634 CA LYS A 39 -4.075 -5.054 4.289 1.00 74.33 C ATOM 635 C LYS A 39 -4.101 -4.764 2.763 1.00 24.13 C ATOM 636 O LYS A 39 -5.018 -5.195 2.062 1.00 73.34 O ATOM 637 CB LYS A 39 -4.250 -3.738 5.096 1.00 61.51 C ATOM 638 CG LYS A 39 -5.530 -2.915 4.803 1.00 23.34 C ATOM 639 CD LYS A 39 -6.842 -3.654 5.165 1.00 40.10 C ATOM 640 CE LYS A 39 -8.084 -2.757 4.988 1.00 31.23 C ATOM 641 NZ LYS A 39 -9.351 -3.476 5.297 1.00 44.21 N ATOM 0 H LYS A 39 -2.337 -5.232 5.473 1.00 72.24 H new ATOM 0 HA LYS A 39 -4.906 -5.731 4.488 1.00 74.33 H new ATOM 0 HB2 LYS A 39 -4.238 -3.984 6.158 1.00 61.51 H new ATOM 0 HB3 LYS A 39 -3.385 -3.103 4.906 1.00 61.51 H new ATOM 0 HG2 LYS A 39 -5.485 -1.979 5.360 1.00 23.34 H new ATOM 0 HG3 LYS A 39 -5.550 -2.655 3.745 1.00 23.34 H new ATOM 0 HD2 LYS A 39 -6.943 -4.540 4.538 1.00 40.10 H new ATOM 0 HD3 LYS A 39 -6.789 -3.999 6.198 1.00 40.10 H new ATOM 0 HE2 LYS A 39 -7.996 -1.886 5.638 1.00 31.23 H new ATOM 0 HE3 LYS A 39 -8.119 -2.388 3.963 1.00 31.23 H new ATOM 0 HZ1 LYS A 39 -10.157 -2.832 5.164 1.00 44.21 H new ATOM 0 HZ2 LYS A 39 -9.451 -4.292 4.660 1.00 44.21 H new ATOM 0 HZ3 LYS A 39 -9.331 -3.806 6.283 1.00 44.21 H new ATOM 655 N ILE A 40 -3.065 -4.057 2.276 1.00 41.00 N ATOM 656 CA ILE A 40 -2.938 -3.650 0.850 1.00 1.21 C ATOM 657 C ILE A 40 -2.923 -4.875 -0.113 1.00 41.52 C ATOM 658 O ILE A 40 -3.489 -4.814 -1.213 1.00 64.23 O ATOM 659 CB ILE A 40 -1.644 -2.758 0.662 1.00 41.42 C ATOM 660 CG1 ILE A 40 -1.817 -1.381 1.383 1.00 12.01 C ATOM 661 CG2 ILE A 40 -1.278 -2.537 -0.826 1.00 70.43 C ATOM 662 CD1 ILE A 40 -0.558 -0.536 1.452 1.00 53.12 C ATOM 0 H ILE A 40 -2.286 -3.747 2.856 1.00 41.00 H new ATOM 0 HA ILE A 40 -3.817 -3.062 0.588 1.00 1.21 H new ATOM 0 HB ILE A 40 -0.819 -3.306 1.117 1.00 41.42 H new ATOM 0 HG12 ILE A 40 -2.592 -0.812 0.869 1.00 12.01 H new ATOM 0 HG13 ILE A 40 -2.174 -1.560 2.397 1.00 12.01 H new ATOM 0 HG21 ILE A 40 -0.383 -1.919 -0.893 1.00 70.43 H new ATOM 0 HG22 ILE A 40 -1.090 -3.500 -1.301 1.00 70.43 H new ATOM 0 HG23 ILE A 40 -2.103 -2.037 -1.333 1.00 70.43 H new ATOM 0 HD11 ILE A 40 -0.775 0.399 1.969 1.00 53.12 H new ATOM 0 HD12 ILE A 40 0.216 -1.079 1.995 1.00 53.12 H new ATOM 0 HD13 ILE A 40 -0.209 -0.320 0.442 1.00 53.12 H new ATOM 674 N ILE A 41 -2.280 -5.980 0.319 1.00 2.31 N ATOM 675 CA ILE A 41 -2.257 -7.252 -0.452 1.00 63.31 C ATOM 676 C ILE A 41 -3.680 -7.867 -0.576 1.00 14.45 C ATOM 677 O ILE A 41 -4.104 -8.278 -1.667 1.00 3.43 O ATOM 678 CB ILE A 41 -1.288 -8.302 0.219 1.00 32.41 C ATOM 679 CG1 ILE A 41 0.175 -7.755 0.257 1.00 62.31 C ATOM 680 CG2 ILE A 41 -1.346 -9.679 -0.496 1.00 61.24 C ATOM 681 CD1 ILE A 41 1.160 -8.613 1.039 1.00 52.30 C ATOM 0 H ILE A 41 -1.767 -6.022 1.200 1.00 2.31 H new ATOM 0 HA ILE A 41 -1.891 -7.014 -1.451 1.00 63.31 H new ATOM 0 HB ILE A 41 -1.627 -8.455 1.244 1.00 32.41 H new ATOM 0 HG12 ILE A 41 0.536 -7.654 -0.766 1.00 62.31 H new ATOM 0 HG13 ILE A 41 0.162 -6.755 0.691 1.00 62.31 H new ATOM 0 HG21 ILE A 41 -0.665 -10.373 -0.004 1.00 61.24 H new ATOM 0 HG22 ILE A 41 -2.362 -10.071 -0.448 1.00 61.24 H new ATOM 0 HG23 ILE A 41 -1.052 -9.560 -1.539 1.00 61.24 H new ATOM 0 HD11 ILE A 41 2.148 -8.153 1.008 1.00 52.30 H new ATOM 0 HD12 ILE A 41 0.829 -8.694 2.074 1.00 52.30 H new ATOM 0 HD13 ILE A 41 1.209 -9.607 0.595 1.00 52.30 H new ATOM 693 N ASN A 42 -4.408 -7.912 0.556 1.00 61.12 N ATOM 694 CA ASN A 42 -5.751 -8.540 0.629 1.00 32.11 C ATOM 695 C ASN A 42 -6.859 -7.662 -0.004 1.00 43.42 C ATOM 696 O ASN A 42 -7.959 -8.158 -0.272 1.00 14.13 O ATOM 697 CB ASN A 42 -6.101 -8.896 2.101 1.00 2.21 C ATOM 698 CG ASN A 42 -5.377 -10.152 2.603 1.00 71.22 C ATOM 699 OD1 ASN A 42 -5.882 -11.264 2.481 1.00 63.41 O ATOM 700 ND2 ASN A 42 -4.194 -9.995 3.154 1.00 10.10 N ATOM 0 H ASN A 42 -4.089 -7.519 1.442 1.00 61.12 H new ATOM 0 HA ASN A 42 -5.708 -9.456 0.040 1.00 32.11 H new ATOM 0 HB2 ASN A 42 -5.844 -8.054 2.744 1.00 2.21 H new ATOM 0 HB3 ASN A 42 -7.177 -9.045 2.187 1.00 2.21 H new ATOM 0 HD21 ASN A 42 -3.676 -10.807 3.490 1.00 10.10 H new ATOM 0 HD22 ASN A 42 -3.794 -9.061 3.245 1.00 10.10 H new ATOM 707 N LEU A 43 -6.574 -6.372 -0.232 1.00 33.43 N ATOM 708 CA LEU A 43 -7.512 -5.448 -0.911 1.00 25.03 C ATOM 709 C LEU A 43 -7.475 -5.640 -2.456 1.00 34.50 C ATOM 710 O LEU A 43 -6.432 -5.410 -3.083 1.00 32.33 O ATOM 711 CB LEU A 43 -7.191 -3.977 -0.518 1.00 3.32 C ATOM 712 CG LEU A 43 -7.591 -3.575 0.937 1.00 65.04 C ATOM 713 CD1 LEU A 43 -7.054 -2.178 1.316 1.00 21.13 C ATOM 714 CD2 LEU A 43 -9.127 -3.651 1.125 1.00 50.20 C ATOM 0 H LEU A 43 -5.694 -5.936 0.045 1.00 33.43 H new ATOM 0 HA LEU A 43 -8.525 -5.681 -0.581 1.00 25.03 H new ATOM 0 HB2 LEU A 43 -6.121 -3.810 -0.643 1.00 3.32 H new ATOM 0 HB3 LEU A 43 -7.701 -3.312 -1.215 1.00 3.32 H new ATOM 0 HG LEU A 43 -7.127 -4.292 1.614 1.00 65.04 H new ATOM 0 HD11 LEU A 43 -7.355 -1.937 2.336 1.00 21.13 H new ATOM 0 HD12 LEU A 43 -5.966 -2.176 1.248 1.00 21.13 H new ATOM 0 HD13 LEU A 43 -7.462 -1.434 0.632 1.00 21.13 H new ATOM 0 HD21 LEU A 43 -9.383 -3.367 2.146 1.00 50.20 H new ATOM 0 HD22 LEU A 43 -9.613 -2.970 0.426 1.00 50.20 H new ATOM 0 HD23 LEU A 43 -9.467 -4.669 0.936 1.00 50.20 H new ATOM 726 N PRO A 44 -8.615 -6.092 -3.096 1.00 50.21 N ATOM 727 CA PRO A 44 -8.713 -6.226 -4.573 1.00 23.32 C ATOM 728 C PRO A 44 -8.665 -4.848 -5.288 1.00 51.43 C ATOM 729 O PRO A 44 -9.010 -3.822 -4.692 1.00 2.51 O ATOM 730 CB PRO A 44 -10.076 -6.950 -4.798 1.00 4.31 C ATOM 731 CG PRO A 44 -10.449 -7.499 -3.448 1.00 60.32 C ATOM 732 CD PRO A 44 -9.881 -6.519 -2.448 1.00 22.35 C ATOM 0 HA PRO A 44 -7.874 -6.780 -4.993 1.00 23.32 H new ATOM 0 HB2 PRO A 44 -10.834 -6.259 -5.167 1.00 4.31 H new ATOM 0 HB3 PRO A 44 -9.983 -7.746 -5.537 1.00 4.31 H new ATOM 0 HG2 PRO A 44 -11.531 -7.585 -3.344 1.00 60.32 H new ATOM 0 HG3 PRO A 44 -10.034 -8.496 -3.301 1.00 60.32 H new ATOM 0 HD2 PRO A 44 -10.553 -5.678 -2.278 1.00 22.35 H new ATOM 0 HD3 PRO A 44 -9.703 -6.986 -1.479 1.00 22.35 H new ATOM 740 N VAL A 45 -8.269 -4.855 -6.574 1.00 31.34 N ATOM 741 CA VAL A 45 -7.947 -3.627 -7.345 1.00 64.01 C ATOM 742 C VAL A 45 -9.135 -2.632 -7.426 1.00 1.43 C ATOM 743 O VAL A 45 -8.955 -1.447 -7.156 1.00 44.42 O ATOM 744 CB VAL A 45 -7.425 -3.997 -8.790 1.00 31.55 C ATOM 745 CG1 VAL A 45 -7.123 -2.744 -9.649 1.00 15.22 C ATOM 746 CG2 VAL A 45 -6.177 -4.905 -8.690 1.00 34.11 C ATOM 0 H VAL A 45 -8.161 -5.713 -7.115 1.00 31.34 H new ATOM 0 HA VAL A 45 -7.153 -3.116 -6.800 1.00 64.01 H new ATOM 0 HB VAL A 45 -8.224 -4.540 -9.295 1.00 31.55 H new ATOM 0 HG11 VAL A 45 -6.768 -3.054 -10.632 1.00 15.22 H new ATOM 0 HG12 VAL A 45 -8.032 -2.152 -9.761 1.00 15.22 H new ATOM 0 HG13 VAL A 45 -6.357 -2.143 -9.159 1.00 15.22 H new ATOM 0 HG21 VAL A 45 -5.826 -5.153 -9.692 1.00 34.11 H new ATOM 0 HG22 VAL A 45 -5.389 -4.382 -8.149 1.00 34.11 H new ATOM 0 HG23 VAL A 45 -6.435 -5.821 -8.159 1.00 34.11 H new ATOM 756 N VAL A 46 -10.340 -3.125 -7.762 1.00 53.13 N ATOM 757 CA VAL A 46 -11.560 -2.272 -7.875 1.00 11.01 C ATOM 758 C VAL A 46 -11.898 -1.567 -6.529 1.00 13.14 C ATOM 759 O VAL A 46 -12.142 -0.350 -6.491 1.00 73.31 O ATOM 760 CB VAL A 46 -12.804 -3.115 -8.360 1.00 53.21 C ATOM 761 CG1 VAL A 46 -14.090 -2.253 -8.466 1.00 12.02 C ATOM 762 CG2 VAL A 46 -12.504 -3.823 -9.704 1.00 32.44 C ATOM 0 H VAL A 46 -10.506 -4.111 -7.963 1.00 53.13 H new ATOM 0 HA VAL A 46 -11.340 -1.506 -8.619 1.00 11.01 H new ATOM 0 HB VAL A 46 -12.988 -3.876 -7.602 1.00 53.21 H new ATOM 0 HG11 VAL A 46 -14.919 -2.876 -8.803 1.00 12.02 H new ATOM 0 HG12 VAL A 46 -14.327 -1.831 -7.489 1.00 12.02 H new ATOM 0 HG13 VAL A 46 -13.929 -1.446 -9.180 1.00 12.02 H new ATOM 0 HG21 VAL A 46 -13.377 -4.397 -10.016 1.00 32.44 H new ATOM 0 HG22 VAL A 46 -12.270 -3.077 -10.464 1.00 32.44 H new ATOM 0 HG23 VAL A 46 -11.654 -4.494 -9.580 1.00 32.44 H new ATOM 772 N ASP A 47 -11.873 -2.350 -5.434 1.00 23.35 N ATOM 773 CA ASP A 47 -12.125 -1.857 -4.058 1.00 52.34 C ATOM 774 C ASP A 47 -11.081 -0.800 -3.629 1.00 2.33 C ATOM 775 O ASP A 47 -11.417 0.228 -3.023 1.00 3.34 O ATOM 776 CB ASP A 47 -12.089 -3.053 -3.069 1.00 62.11 C ATOM 777 CG ASP A 47 -13.137 -4.128 -3.394 1.00 51.05 C ATOM 778 OD1 ASP A 47 -12.916 -4.914 -4.341 1.00 73.21 O ATOM 779 OD2 ASP A 47 -14.197 -4.178 -2.723 1.00 73.13 O ATOM 0 H ASP A 47 -11.676 -3.350 -5.475 1.00 23.35 H new ATOM 0 HA ASP A 47 -13.106 -1.383 -4.043 1.00 52.34 H new ATOM 0 HB2 ASP A 47 -11.096 -3.503 -3.087 1.00 62.11 H new ATOM 0 HB3 ASP A 47 -12.254 -2.686 -2.056 1.00 62.11 H new ATOM 784 N PHE A 48 -9.817 -1.078 -3.968 1.00 5.23 N ATOM 785 CA PHE A 48 -8.665 -0.260 -3.557 1.00 52.42 C ATOM 786 C PHE A 48 -8.592 1.081 -4.337 1.00 44.41 C ATOM 787 O PHE A 48 -8.207 2.110 -3.773 1.00 20.51 O ATOM 788 CB PHE A 48 -7.362 -1.077 -3.734 1.00 53.52 C ATOM 789 CG PHE A 48 -6.165 -0.473 -3.004 1.00 73.04 C ATOM 790 CD1 PHE A 48 -6.092 -0.544 -1.616 1.00 52.13 C ATOM 791 CD2 PHE A 48 -5.146 0.184 -3.684 1.00 54.13 C ATOM 792 CE1 PHE A 48 -5.038 0.016 -0.923 1.00 30.50 C ATOM 793 CE2 PHE A 48 -4.096 0.750 -2.989 1.00 42.42 C ATOM 794 CZ PHE A 48 -4.039 0.660 -1.604 1.00 53.14 C ATOM 0 H PHE A 48 -9.560 -1.883 -4.540 1.00 5.23 H new ATOM 0 HA PHE A 48 -8.789 -0.002 -2.505 1.00 52.42 H new ATOM 0 HB2 PHE A 48 -7.526 -2.092 -3.371 1.00 53.52 H new ATOM 0 HB3 PHE A 48 -7.130 -1.152 -4.796 1.00 53.52 H new ATOM 0 HD1 PHE A 48 -6.876 -1.048 -1.070 1.00 52.13 H new ATOM 0 HD2 PHE A 48 -5.176 0.252 -4.761 1.00 54.13 H new ATOM 0 HE1 PHE A 48 -5.001 -0.053 0.154 1.00 30.50 H new ATOM 0 HE2 PHE A 48 -3.314 1.266 -3.526 1.00 42.42 H new ATOM 0 HZ PHE A 48 -3.210 1.096 -1.066 1.00 53.14 H new ATOM 804 N ASN A 49 -8.970 1.053 -5.631 1.00 54.10 N ATOM 805 CA ASN A 49 -9.026 2.266 -6.487 1.00 24.33 C ATOM 806 C ASN A 49 -10.133 3.223 -6.002 1.00 44.43 C ATOM 807 O ASN A 49 -9.954 4.445 -5.999 1.00 44.13 O ATOM 808 CB ASN A 49 -9.260 1.901 -7.977 1.00 3.10 C ATOM 809 CG ASN A 49 -8.108 1.119 -8.610 1.00 15.02 C ATOM 810 OD1 ASN A 49 -6.954 1.239 -8.212 1.00 54.41 O ATOM 811 ND2 ASN A 49 -8.412 0.320 -9.613 1.00 71.33 N ATOM 0 H ASN A 49 -9.244 0.197 -6.114 1.00 54.10 H new ATOM 0 HA ASN A 49 -8.061 2.766 -6.406 1.00 24.33 H new ATOM 0 HB2 ASN A 49 -10.174 1.312 -8.058 1.00 3.10 H new ATOM 0 HB3 ASN A 49 -9.420 2.817 -8.545 1.00 3.10 H new ATOM 0 HD21 ASN A 49 -7.680 -0.217 -10.078 1.00 71.33 H new ATOM 0 HD22 ASN A 49 -9.380 0.238 -9.925 1.00 71.33 H new ATOM 818 N GLU A 50 -11.275 2.645 -5.595 1.00 65.31 N ATOM 819 CA GLU A 50 -12.390 3.406 -5.001 1.00 71.43 C ATOM 820 C GLU A 50 -11.954 4.035 -3.648 1.00 4.33 C ATOM 821 O GLU A 50 -12.272 5.190 -3.356 1.00 24.51 O ATOM 822 CB GLU A 50 -13.620 2.476 -4.803 1.00 12.31 C ATOM 823 CG GLU A 50 -14.916 3.208 -4.402 1.00 61.05 C ATOM 824 CD GLU A 50 -16.094 2.257 -4.124 1.00 14.32 C ATOM 825 OE1 GLU A 50 -16.790 1.853 -5.087 1.00 64.43 O ATOM 826 OE2 GLU A 50 -16.333 1.911 -2.946 1.00 63.43 O ATOM 0 H GLU A 50 -11.452 1.643 -5.667 1.00 65.31 H new ATOM 0 HA GLU A 50 -12.669 4.213 -5.678 1.00 71.43 H new ATOM 0 HB2 GLU A 50 -13.798 1.928 -5.728 1.00 12.31 H new ATOM 0 HB3 GLU A 50 -13.382 1.738 -4.037 1.00 12.31 H new ATOM 0 HG2 GLU A 50 -14.725 3.808 -3.512 1.00 61.05 H new ATOM 0 HG3 GLU A 50 -15.196 3.898 -5.198 1.00 61.05 H new ATOM 833 N MET A 51 -11.173 3.261 -2.869 1.00 51.54 N ATOM 834 CA MET A 51 -10.655 3.681 -1.543 1.00 4.43 C ATOM 835 C MET A 51 -9.697 4.899 -1.648 1.00 10.43 C ATOM 836 O MET A 51 -9.813 5.847 -0.870 1.00 1.41 O ATOM 837 CB MET A 51 -9.948 2.480 -0.855 1.00 32.21 C ATOM 838 CG MET A 51 -9.459 2.738 0.580 1.00 13.04 C ATOM 839 SD MET A 51 -8.752 1.266 1.352 1.00 5.12 S ATOM 840 CE MET A 51 -10.161 0.152 1.367 1.00 42.13 C ATOM 0 H MET A 51 -10.880 2.322 -3.139 1.00 51.54 H new ATOM 0 HA MET A 51 -11.502 3.999 -0.935 1.00 4.43 H new ATOM 0 HB2 MET A 51 -10.636 1.635 -0.840 1.00 32.21 H new ATOM 0 HB3 MET A 51 -9.094 2.185 -1.465 1.00 32.21 H new ATOM 0 HG2 MET A 51 -8.711 3.531 0.567 1.00 13.04 H new ATOM 0 HG3 MET A 51 -10.293 3.095 1.185 1.00 13.04 H new ATOM 0 HE1 MET A 51 -10.013 -0.611 2.131 1.00 42.13 H new ATOM 0 HE2 MET A 51 -11.068 0.715 1.588 1.00 42.13 H new ATOM 0 HE3 MET A 51 -10.258 -0.325 0.392 1.00 42.13 H new ATOM 850 N MET A 52 -8.756 4.858 -2.617 1.00 0.54 N ATOM 851 CA MET A 52 -7.799 5.975 -2.859 1.00 3.44 C ATOM 852 C MET A 52 -8.471 7.182 -3.575 1.00 22.03 C ATOM 853 O MET A 52 -7.922 8.281 -3.584 1.00 62.21 O ATOM 854 CB MET A 52 -6.534 5.473 -3.625 1.00 42.04 C ATOM 855 CG MET A 52 -6.757 4.933 -5.048 1.00 14.24 C ATOM 856 SD MET A 52 -7.148 6.213 -6.274 1.00 21.52 S ATOM 857 CE MET A 52 -5.643 7.201 -6.281 1.00 3.40 C ATOM 0 H MET A 52 -8.634 4.066 -3.248 1.00 0.54 H new ATOM 0 HA MET A 52 -7.473 6.340 -1.885 1.00 3.44 H new ATOM 0 HB2 MET A 52 -5.821 6.296 -3.681 1.00 42.04 H new ATOM 0 HB3 MET A 52 -6.067 4.687 -3.032 1.00 42.04 H new ATOM 0 HG2 MET A 52 -5.861 4.401 -5.368 1.00 14.24 H new ATOM 0 HG3 MET A 52 -7.569 4.206 -5.026 1.00 14.24 H new ATOM 0 HE1 MET A 52 -5.601 7.794 -7.195 1.00 3.40 H new ATOM 0 HE2 MET A 52 -5.640 7.866 -5.417 1.00 3.40 H new ATOM 0 HE3 MET A 52 -4.775 6.543 -6.235 1.00 3.40 H new ATOM 867 N SER A 53 -9.656 6.962 -4.187 1.00 14.45 N ATOM 868 CA SER A 53 -10.474 8.062 -4.786 1.00 42.55 C ATOM 869 C SER A 53 -11.328 8.790 -3.720 1.00 42.23 C ATOM 870 O SER A 53 -11.846 9.883 -3.970 1.00 73.34 O ATOM 871 CB SER A 53 -11.380 7.513 -5.908 1.00 50.51 C ATOM 872 OG SER A 53 -10.609 6.983 -6.977 1.00 50.10 O ATOM 0 H SER A 53 -10.074 6.037 -4.284 1.00 14.45 H new ATOM 0 HA SER A 53 -9.781 8.789 -5.210 1.00 42.55 H new ATOM 0 HB2 SER A 53 -12.031 6.737 -5.506 1.00 50.51 H new ATOM 0 HB3 SER A 53 -12.025 8.309 -6.281 1.00 50.51 H new ATOM 0 HG SER A 53 -10.326 6.071 -6.756 1.00 50.10 H new ATOM 878 N LYS A 54 -11.490 8.159 -2.547 1.00 64.31 N ATOM 879 CA LYS A 54 -12.138 8.777 -1.367 1.00 24.42 C ATOM 880 C LYS A 54 -11.074 9.456 -0.467 1.00 52.02 C ATOM 881 O LYS A 54 -11.228 10.604 -0.050 1.00 62.20 O ATOM 882 CB LYS A 54 -12.910 7.689 -0.573 1.00 74.15 C ATOM 883 CG LYS A 54 -14.088 7.058 -1.352 1.00 53.33 C ATOM 884 CD LYS A 54 -14.676 5.809 -0.651 1.00 24.44 C ATOM 885 CE LYS A 54 -15.869 5.204 -1.414 1.00 73.55 C ATOM 886 NZ LYS A 54 -16.345 3.934 -0.794 1.00 45.25 N ATOM 0 H LYS A 54 -11.176 7.202 -2.384 1.00 64.31 H new ATOM 0 HA LYS A 54 -12.842 9.541 -1.699 1.00 24.42 H new ATOM 0 HB2 LYS A 54 -12.214 6.901 -0.286 1.00 74.15 H new ATOM 0 HB3 LYS A 54 -13.291 8.128 0.349 1.00 74.15 H new ATOM 0 HG2 LYS A 54 -14.875 7.802 -1.476 1.00 53.33 H new ATOM 0 HG3 LYS A 54 -13.750 6.782 -2.351 1.00 53.33 H new ATOM 0 HD2 LYS A 54 -13.896 5.055 -0.548 1.00 24.44 H new ATOM 0 HD3 LYS A 54 -14.994 6.079 0.356 1.00 24.44 H new ATOM 0 HE2 LYS A 54 -16.687 5.924 -1.437 1.00 73.55 H new ATOM 0 HE3 LYS A 54 -15.580 5.016 -2.448 1.00 73.55 H new ATOM 0 HZ1 LYS A 54 -16.346 3.178 -1.508 1.00 45.25 H new ATOM 0 HZ2 LYS A 54 -15.712 3.671 -0.012 1.00 45.25 H new ATOM 0 HZ3 LYS A 54 -17.310 4.066 -0.429 1.00 45.25 H new ATOM 900 N GLU A 55 -9.992 8.711 -0.178 1.00 4.51 N ATOM 901 CA GLU A 55 -8.850 9.174 0.647 1.00 4.04 C ATOM 902 C GLU A 55 -7.526 8.920 -0.123 1.00 60.25 C ATOM 903 O GLU A 55 -7.002 7.794 -0.120 1.00 41.50 O ATOM 904 CB GLU A 55 -8.825 8.413 2.010 1.00 21.43 C ATOM 905 CG GLU A 55 -10.151 8.410 2.803 1.00 52.53 C ATOM 906 CD GLU A 55 -10.095 7.498 4.040 1.00 73.42 C ATOM 907 OE1 GLU A 55 -10.147 6.256 3.874 1.00 44.04 O ATOM 908 OE2 GLU A 55 -9.970 8.007 5.179 1.00 53.22 O ATOM 0 H GLU A 55 -9.880 7.754 -0.514 1.00 4.51 H new ATOM 0 HA GLU A 55 -8.959 10.240 0.845 1.00 4.04 H new ATOM 0 HB2 GLU A 55 -8.534 7.380 1.822 1.00 21.43 H new ATOM 0 HB3 GLU A 55 -8.050 8.854 2.637 1.00 21.43 H new ATOM 0 HG2 GLU A 55 -10.386 9.427 3.116 1.00 52.53 H new ATOM 0 HG3 GLU A 55 -10.960 8.082 2.150 1.00 52.53 H new ATOM 915 N GLN A 56 -7.003 9.956 -0.809 1.00 24.42 N ATOM 916 CA GLN A 56 -5.797 9.824 -1.669 1.00 71.34 C ATOM 917 C GLN A 56 -4.483 10.062 -0.889 1.00 1.40 C ATOM 918 O GLN A 56 -4.464 10.744 0.141 1.00 73.54 O ATOM 919 CB GLN A 56 -5.893 10.792 -2.878 1.00 23.25 C ATOM 920 CG GLN A 56 -5.911 12.291 -2.516 1.00 62.32 C ATOM 921 CD GLN A 56 -6.047 13.198 -3.744 1.00 61.25 C ATOM 922 OE1 GLN A 56 -5.059 13.607 -4.348 1.00 64.45 O ATOM 923 NE2 GLN A 56 -7.270 13.513 -4.128 1.00 24.45 N ATOM 0 H GLN A 56 -7.394 10.898 -0.788 1.00 24.42 H new ATOM 0 HA GLN A 56 -5.769 8.796 -2.029 1.00 71.34 H new ATOM 0 HB2 GLN A 56 -5.049 10.605 -3.542 1.00 23.25 H new ATOM 0 HB3 GLN A 56 -6.798 10.559 -3.439 1.00 23.25 H new ATOM 0 HG2 GLN A 56 -6.738 12.485 -1.833 1.00 62.32 H new ATOM 0 HG3 GLN A 56 -4.993 12.543 -1.984 1.00 62.32 H new ATOM 0 HE21 GLN A 56 -8.074 13.160 -3.609 1.00 24.45 H new ATOM 0 HE22 GLN A 56 -7.411 14.109 -4.944 1.00 24.45 H new ATOM 932 N PHE A 57 -3.379 9.494 -1.415 1.00 40.32 N ATOM 933 CA PHE A 57 -2.029 9.592 -0.800 1.00 4.24 C ATOM 934 C PHE A 57 -1.001 10.132 -1.826 1.00 53.33 C ATOM 935 O PHE A 57 -1.342 10.365 -2.992 1.00 72.22 O ATOM 936 CB PHE A 57 -1.607 8.200 -0.244 1.00 2.33 C ATOM 937 CG PHE A 57 -2.591 7.641 0.792 1.00 73.54 C ATOM 938 CD1 PHE A 57 -2.664 8.194 2.072 1.00 43.22 C ATOM 939 CD2 PHE A 57 -3.464 6.594 0.475 1.00 25.45 C ATOM 940 CE1 PHE A 57 -3.572 7.717 3.001 1.00 75.13 C ATOM 941 CE2 PHE A 57 -4.366 6.117 1.409 1.00 10.15 C ATOM 942 CZ PHE A 57 -4.420 6.680 2.671 1.00 61.40 C ATOM 0 H PHE A 57 -3.393 8.953 -2.279 1.00 40.32 H new ATOM 0 HA PHE A 57 -2.059 10.298 0.030 1.00 4.24 H new ATOM 0 HB2 PHE A 57 -1.521 7.496 -1.072 1.00 2.33 H new ATOM 0 HB3 PHE A 57 -0.619 8.281 0.209 1.00 2.33 H new ATOM 0 HD1 PHE A 57 -2.003 9.005 2.341 1.00 43.22 H new ATOM 0 HD2 PHE A 57 -3.433 6.153 -0.510 1.00 25.45 H new ATOM 0 HE1 PHE A 57 -3.617 8.157 3.986 1.00 75.13 H new ATOM 0 HE2 PHE A 57 -5.029 5.304 1.152 1.00 10.15 H new ATOM 0 HZ PHE A 57 -5.126 6.308 3.398 1.00 61.40 H new ATOM 952 N ASN A 58 0.256 10.329 -1.380 1.00 64.44 N ATOM 953 CA ASN A 58 1.344 10.879 -2.226 1.00 34.32 C ATOM 954 C ASN A 58 1.780 9.872 -3.322 1.00 74.20 C ATOM 955 O ASN A 58 1.615 8.664 -3.165 1.00 40.13 O ATOM 956 CB ASN A 58 2.545 11.269 -1.331 1.00 70.40 C ATOM 957 CG ASN A 58 3.687 11.977 -2.074 1.00 5.02 C ATOM 958 OD1 ASN A 58 4.639 11.349 -2.531 1.00 50.31 O ATOM 959 ND2 ASN A 58 3.588 13.282 -2.226 1.00 2.25 N ATOM 0 H ASN A 58 0.549 10.113 -0.427 1.00 64.44 H new ATOM 0 HA ASN A 58 0.970 11.766 -2.736 1.00 34.32 H new ATOM 0 HB2 ASN A 58 2.190 11.919 -0.531 1.00 70.40 H new ATOM 0 HB3 ASN A 58 2.938 10.369 -0.859 1.00 70.40 H new ATOM 0 HD21 ASN A 58 4.311 13.793 -2.732 1.00 2.25 H new ATOM 0 HD22 ASN A 58 2.788 13.781 -1.837 1.00 2.25 H new ATOM 966 N GLU A 59 2.348 10.402 -4.417 1.00 22.10 N ATOM 967 CA GLU A 59 2.797 9.604 -5.586 1.00 4.11 C ATOM 968 C GLU A 59 3.878 8.551 -5.214 1.00 43.33 C ATOM 969 O GLU A 59 3.864 7.425 -5.729 1.00 21.32 O ATOM 970 CB GLU A 59 3.301 10.562 -6.703 1.00 12.30 C ATOM 971 CG GLU A 59 4.413 11.543 -6.266 1.00 4.25 C ATOM 972 CD GLU A 59 4.778 12.587 -7.339 1.00 62.42 C ATOM 973 OE1 GLU A 59 4.075 13.621 -7.443 1.00 50.11 O ATOM 974 OE2 GLU A 59 5.770 12.389 -8.080 1.00 52.23 O ATOM 0 H GLU A 59 2.513 11.403 -4.524 1.00 22.10 H new ATOM 0 HA GLU A 59 1.942 9.037 -5.954 1.00 4.11 H new ATOM 0 HB2 GLU A 59 3.671 9.963 -7.535 1.00 12.30 H new ATOM 0 HB3 GLU A 59 2.455 11.138 -7.077 1.00 12.30 H new ATOM 0 HG2 GLU A 59 4.093 12.061 -5.362 1.00 4.25 H new ATOM 0 HG3 GLU A 59 5.306 10.974 -6.008 1.00 4.25 H new ATOM 981 N ALA A 60 4.808 8.929 -4.315 1.00 32.25 N ATOM 982 CA ALA A 60 5.864 8.019 -3.799 1.00 24.51 C ATOM 983 C ALA A 60 5.267 6.891 -2.925 1.00 33.14 C ATOM 984 O ALA A 60 5.741 5.749 -2.961 1.00 61.23 O ATOM 985 CB ALA A 60 6.917 8.820 -3.012 1.00 0.50 C ATOM 0 H ALA A 60 4.853 9.870 -3.924 1.00 32.25 H new ATOM 0 HA ALA A 60 6.347 7.546 -4.654 1.00 24.51 H new ATOM 0 HB1 ALA A 60 7.685 8.143 -2.639 1.00 0.50 H new ATOM 0 HB2 ALA A 60 7.374 9.562 -3.667 1.00 0.50 H new ATOM 0 HB3 ALA A 60 6.438 9.323 -2.172 1.00 0.50 H new ATOM 991 N GLN A 61 4.211 7.229 -2.152 1.00 30.10 N ATOM 992 CA GLN A 61 3.466 6.247 -1.332 1.00 41.22 C ATOM 993 C GLN A 61 2.761 5.208 -2.228 1.00 44.32 C ATOM 994 O GLN A 61 2.895 4.005 -2.021 1.00 32.14 O ATOM 995 CB GLN A 61 2.409 6.955 -0.440 1.00 65.43 C ATOM 996 CG GLN A 61 2.981 7.969 0.563 1.00 52.51 C ATOM 997 CD GLN A 61 1.934 8.470 1.564 1.00 34.04 C ATOM 998 OE1 GLN A 61 1.253 9.467 1.344 1.00 14.00 O ATOM 999 NE2 GLN A 61 1.771 7.751 2.651 1.00 44.44 N ATOM 0 H GLN A 61 3.853 8.181 -2.079 1.00 30.10 H new ATOM 0 HA GLN A 61 4.189 5.739 -0.693 1.00 41.22 H new ATOM 0 HB2 GLN A 61 1.696 7.468 -1.085 1.00 65.43 H new ATOM 0 HB3 GLN A 61 1.853 6.196 0.110 1.00 65.43 H new ATOM 0 HG2 GLN A 61 3.806 7.509 1.107 1.00 52.51 H new ATOM 0 HG3 GLN A 61 3.392 8.819 0.019 1.00 52.51 H new ATOM 0 HE21 GLN A 61 2.351 6.927 2.809 1.00 44.44 H new ATOM 0 HE22 GLN A 61 1.065 8.017 3.337 1.00 44.44 H new ATOM 1008 N LEU A 62 2.026 5.716 -3.236 1.00 71.12 N ATOM 1009 CA LEU A 62 1.284 4.891 -4.213 1.00 21.22 C ATOM 1010 C LEU A 62 2.233 3.982 -5.037 1.00 51.44 C ATOM 1011 O LEU A 62 1.859 2.869 -5.400 1.00 75.24 O ATOM 1012 CB LEU A 62 0.444 5.811 -5.138 1.00 25.40 C ATOM 1013 CG LEU A 62 -0.725 6.585 -4.432 1.00 23.25 C ATOM 1014 CD1 LEU A 62 -1.345 7.664 -5.352 1.00 13.10 C ATOM 1015 CD2 LEU A 62 -1.810 5.606 -3.913 1.00 63.24 C ATOM 0 H LEU A 62 1.929 6.718 -3.398 1.00 71.12 H new ATOM 0 HA LEU A 62 0.613 4.229 -3.666 1.00 21.22 H new ATOM 0 HB2 LEU A 62 1.111 6.538 -5.602 1.00 25.40 H new ATOM 0 HB3 LEU A 62 0.024 5.205 -5.941 1.00 25.40 H new ATOM 0 HG LEU A 62 -0.295 7.102 -3.574 1.00 23.25 H new ATOM 0 HD11 LEU A 62 -2.150 8.175 -4.823 1.00 13.10 H new ATOM 0 HD12 LEU A 62 -0.579 8.387 -5.632 1.00 13.10 H new ATOM 0 HD13 LEU A 62 -1.744 7.191 -6.250 1.00 13.10 H new ATOM 0 HD21 LEU A 62 -2.607 6.170 -3.429 1.00 63.24 H new ATOM 0 HD22 LEU A 62 -2.221 5.042 -4.750 1.00 63.24 H new ATOM 0 HD23 LEU A 62 -1.365 4.917 -3.195 1.00 63.24 H new ATOM 1027 N ALA A 63 3.461 4.474 -5.301 1.00 71.32 N ATOM 1028 CA ALA A 63 4.526 3.688 -5.969 1.00 73.54 C ATOM 1029 C ALA A 63 4.941 2.454 -5.125 1.00 33.54 C ATOM 1030 O ALA A 63 5.053 1.338 -5.654 1.00 65.52 O ATOM 1031 CB ALA A 63 5.741 4.587 -6.265 1.00 42.43 C ATOM 0 H ALA A 63 3.744 5.424 -5.059 1.00 71.32 H new ATOM 0 HA ALA A 63 4.129 3.314 -6.912 1.00 73.54 H new ATOM 0 HB1 ALA A 63 6.517 4.000 -6.756 1.00 42.43 H new ATOM 0 HB2 ALA A 63 5.438 5.405 -6.918 1.00 42.43 H new ATOM 0 HB3 ALA A 63 6.129 4.993 -5.331 1.00 42.43 H new ATOM 1037 N LEU A 64 5.153 2.676 -3.811 1.00 34.12 N ATOM 1038 CA LEU A 64 5.461 1.592 -2.843 1.00 10.25 C ATOM 1039 C LEU A 64 4.305 0.568 -2.748 1.00 21.22 C ATOM 1040 O LEU A 64 4.535 -0.640 -2.747 1.00 23.25 O ATOM 1041 CB LEU A 64 5.736 2.181 -1.434 1.00 60.31 C ATOM 1042 CG LEU A 64 6.092 1.137 -0.326 1.00 64.41 C ATOM 1043 CD1 LEU A 64 7.413 0.406 -0.637 1.00 62.15 C ATOM 1044 CD2 LEU A 64 6.127 1.784 1.070 1.00 53.15 C ATOM 0 H LEU A 64 5.117 3.604 -3.389 1.00 34.12 H new ATOM 0 HA LEU A 64 6.351 1.079 -3.207 1.00 10.25 H new ATOM 0 HB2 LEU A 64 6.555 2.896 -1.512 1.00 60.31 H new ATOM 0 HB3 LEU A 64 4.856 2.738 -1.114 1.00 60.31 H new ATOM 0 HG LEU A 64 5.298 0.390 -0.322 1.00 64.41 H new ATOM 0 HD11 LEU A 64 7.627 -0.311 0.155 1.00 62.15 H new ATOM 0 HD12 LEU A 64 7.323 -0.119 -1.588 1.00 62.15 H new ATOM 0 HD13 LEU A 64 8.224 1.131 -0.699 1.00 62.15 H new ATOM 0 HD21 LEU A 64 6.378 1.029 1.815 1.00 53.15 H new ATOM 0 HD22 LEU A 64 6.879 2.573 1.086 1.00 53.15 H new ATOM 0 HD23 LEU A 64 5.150 2.209 1.299 1.00 53.15 H new ATOM 1056 N ILE A 65 3.074 1.092 -2.659 1.00 3.00 N ATOM 1057 CA ILE A 65 1.830 0.295 -2.567 1.00 61.23 C ATOM 1058 C ILE A 65 1.702 -0.736 -3.726 1.00 45.45 C ATOM 1059 O ILE A 65 1.300 -1.879 -3.499 1.00 13.31 O ATOM 1060 CB ILE A 65 0.579 1.254 -2.536 1.00 75.52 C ATOM 1061 CG1 ILE A 65 0.508 2.028 -1.173 1.00 64.35 C ATOM 1062 CG2 ILE A 65 -0.736 0.500 -2.818 1.00 64.54 C ATOM 1063 CD1 ILE A 65 -0.626 3.038 -1.055 1.00 13.04 C ATOM 0 H ILE A 65 2.906 2.098 -2.648 1.00 3.00 H new ATOM 0 HA ILE A 65 1.872 -0.276 -1.639 1.00 61.23 H new ATOM 0 HB ILE A 65 0.705 1.981 -3.338 1.00 75.52 H new ATOM 0 HG12 ILE A 65 0.410 1.301 -0.366 1.00 64.35 H new ATOM 0 HG13 ILE A 65 1.453 2.549 -1.020 1.00 64.35 H new ATOM 0 HG21 ILE A 65 -1.571 1.200 -2.787 1.00 64.54 H new ATOM 0 HG22 ILE A 65 -0.686 0.038 -3.804 1.00 64.54 H new ATOM 0 HG23 ILE A 65 -0.882 -0.272 -2.063 1.00 64.54 H new ATOM 0 HD11 ILE A 65 -0.586 3.517 -0.077 1.00 13.04 H new ATOM 0 HD12 ILE A 65 -0.523 3.794 -1.834 1.00 13.04 H new ATOM 0 HD13 ILE A 65 -1.582 2.527 -1.170 1.00 13.04 H new ATOM 1075 N ARG A 66 2.049 -0.305 -4.956 1.00 13.12 N ATOM 1076 CA ARG A 66 2.062 -1.185 -6.155 1.00 52.21 C ATOM 1077 C ARG A 66 3.004 -2.395 -5.947 1.00 45.42 C ATOM 1078 O ARG A 66 2.653 -3.529 -6.275 1.00 54.23 O ATOM 1079 CB ARG A 66 2.495 -0.367 -7.404 1.00 23.21 C ATOM 1080 CG ARG A 66 1.549 0.803 -7.754 1.00 15.44 C ATOM 1081 CD ARG A 66 2.131 1.750 -8.819 1.00 54.23 C ATOM 1082 NE ARG A 66 1.269 2.933 -9.028 1.00 42.41 N ATOM 1083 CZ ARG A 66 1.684 4.183 -9.078 1.00 43.54 C ATOM 1084 NH1 ARG A 66 2.934 4.486 -8.910 1.00 21.23 N ATOM 1085 NH2 ARG A 66 0.836 5.135 -9.293 1.00 10.11 N ATOM 0 H ARG A 66 2.328 0.657 -5.151 1.00 13.12 H new ATOM 0 HA ARG A 66 1.055 -1.570 -6.312 1.00 52.21 H new ATOM 0 HB2 ARG A 66 3.497 0.028 -7.236 1.00 23.21 H new ATOM 0 HB3 ARG A 66 2.557 -1.038 -8.261 1.00 23.21 H new ATOM 0 HG2 ARG A 66 0.601 0.402 -8.112 1.00 15.44 H new ATOM 0 HG3 ARG A 66 1.333 1.371 -6.849 1.00 15.44 H new ATOM 0 HD2 ARG A 66 3.126 2.074 -8.513 1.00 54.23 H new ATOM 0 HD3 ARG A 66 2.246 1.213 -9.760 1.00 54.23 H new ATOM 0 HE ARG A 66 0.269 2.768 -9.143 1.00 42.41 H new ATOM 0 HH11 ARG A 66 3.618 3.750 -8.735 1.00 21.23 H new ATOM 0 HH12 ARG A 66 3.233 5.460 -8.953 1.00 21.23 H new ATOM 0 HH21 ARG A 66 -0.152 4.918 -9.424 1.00 10.11 H new ATOM 0 HH22 ARG A 66 1.155 6.103 -9.332 1.00 10.11 H new ATOM 1099 N ASP A 67 4.185 -2.131 -5.360 1.00 62.12 N ATOM 1100 CA ASP A 67 5.185 -3.178 -5.052 1.00 15.34 C ATOM 1101 C ASP A 67 4.667 -4.140 -3.945 1.00 34.43 C ATOM 1102 O ASP A 67 4.891 -5.343 -4.025 1.00 21.44 O ATOM 1103 CB ASP A 67 6.520 -2.515 -4.623 1.00 32.35 C ATOM 1104 CG ASP A 67 7.672 -3.516 -4.409 1.00 4.12 C ATOM 1105 OD1 ASP A 67 7.817 -4.049 -3.286 1.00 12.42 O ATOM 1106 OD2 ASP A 67 8.446 -3.766 -5.357 1.00 42.33 O ATOM 0 H ASP A 67 4.475 -1.192 -5.086 1.00 62.12 H new ATOM 0 HA ASP A 67 5.355 -3.772 -5.950 1.00 15.34 H new ATOM 0 HB2 ASP A 67 6.816 -1.792 -5.383 1.00 32.35 H new ATOM 0 HB3 ASP A 67 6.358 -1.959 -3.700 1.00 32.35 H new ATOM 1111 N ILE A 68 3.983 -3.582 -2.922 1.00 60.10 N ATOM 1112 CA ILE A 68 3.381 -4.363 -1.805 1.00 53.14 C ATOM 1113 C ILE A 68 2.297 -5.351 -2.333 1.00 64.53 C ATOM 1114 O ILE A 68 2.247 -6.515 -1.922 1.00 34.03 O ATOM 1115 CB ILE A 68 2.765 -3.399 -0.713 1.00 62.41 C ATOM 1116 CG1 ILE A 68 3.885 -2.512 -0.062 1.00 72.51 C ATOM 1117 CG2 ILE A 68 1.978 -4.176 0.375 1.00 22.40 C ATOM 1118 CD1 ILE A 68 3.391 -1.485 0.954 1.00 75.20 C ATOM 0 H ILE A 68 3.829 -2.577 -2.842 1.00 60.10 H new ATOM 0 HA ILE A 68 4.176 -4.947 -1.340 1.00 53.14 H new ATOM 0 HB ILE A 68 2.054 -2.748 -1.221 1.00 62.41 H new ATOM 0 HG12 ILE A 68 4.606 -3.167 0.428 1.00 72.51 H new ATOM 0 HG13 ILE A 68 4.418 -1.988 -0.855 1.00 72.51 H new ATOM 0 HG21 ILE A 68 1.573 -3.473 1.103 1.00 22.40 H new ATOM 0 HG22 ILE A 68 1.161 -4.727 -0.091 1.00 22.40 H new ATOM 0 HG23 ILE A 68 2.646 -4.875 0.878 1.00 22.40 H new ATOM 0 HD11 ILE A 68 4.239 -0.924 1.346 1.00 75.20 H new ATOM 0 HD12 ILE A 68 2.695 -0.800 0.470 1.00 75.20 H new ATOM 0 HD13 ILE A 68 2.886 -1.997 1.773 1.00 75.20 H new ATOM 1130 N ARG A 69 1.458 -4.859 -3.259 1.00 51.41 N ATOM 1131 CA ARG A 69 0.428 -5.670 -3.957 1.00 2.24 C ATOM 1132 C ARG A 69 1.065 -6.853 -4.744 1.00 70.10 C ATOM 1133 O ARG A 69 0.567 -7.983 -4.696 1.00 53.44 O ATOM 1134 CB ARG A 69 -0.383 -4.750 -4.917 1.00 34.21 C ATOM 1135 CG ARG A 69 -1.337 -3.758 -4.211 1.00 21.52 C ATOM 1136 CD ARG A 69 -1.934 -2.714 -5.176 1.00 31.44 C ATOM 1137 NE ARG A 69 -2.563 -3.345 -6.348 1.00 71.52 N ATOM 1138 CZ ARG A 69 -2.754 -2.771 -7.519 1.00 65.42 C ATOM 1139 NH1 ARG A 69 -2.452 -1.528 -7.732 1.00 43.15 N ATOM 1140 NH2 ARG A 69 -3.261 -3.455 -8.480 1.00 73.23 N ATOM 0 H ARG A 69 1.470 -3.882 -3.551 1.00 51.41 H new ATOM 0 HA ARG A 69 -0.238 -6.102 -3.210 1.00 2.24 H new ATOM 0 HB2 ARG A 69 0.316 -4.184 -5.533 1.00 34.21 H new ATOM 0 HB3 ARG A 69 -0.967 -5.377 -5.591 1.00 34.21 H new ATOM 0 HG2 ARG A 69 -2.147 -4.314 -3.738 1.00 21.52 H new ATOM 0 HG3 ARG A 69 -0.796 -3.244 -3.416 1.00 21.52 H new ATOM 0 HD2 ARG A 69 -2.673 -2.112 -4.647 1.00 31.44 H new ATOM 0 HD3 ARG A 69 -1.148 -2.035 -5.507 1.00 31.44 H new ATOM 0 HE ARG A 69 -2.878 -4.310 -6.245 1.00 71.52 H new ATOM 0 HH11 ARG A 69 -2.054 -0.964 -6.981 1.00 43.15 H new ATOM 0 HH12 ARG A 69 -2.613 -1.114 -8.650 1.00 43.15 H new ATOM 0 HH21 ARG A 69 -3.512 -4.433 -8.333 1.00 73.23 H new ATOM 0 HH22 ARG A 69 -3.413 -3.021 -9.390 1.00 73.23 H new ATOM 1154 N ARG A 70 2.179 -6.569 -5.448 1.00 23.51 N ATOM 1155 CA ARG A 70 2.933 -7.576 -6.243 1.00 75.21 C ATOM 1156 C ARG A 70 3.782 -8.518 -5.340 1.00 15.34 C ATOM 1157 O ARG A 70 4.155 -9.614 -5.754 1.00 4.31 O ATOM 1158 CB ARG A 70 3.839 -6.852 -7.276 1.00 44.03 C ATOM 1159 CG ARG A 70 3.060 -5.965 -8.277 1.00 71.53 C ATOM 1160 CD ARG A 70 3.966 -5.150 -9.226 1.00 1.53 C ATOM 1161 NE ARG A 70 4.666 -6.000 -10.214 1.00 32.21 N ATOM 1162 CZ ARG A 70 4.800 -5.730 -11.500 1.00 41.45 C ATOM 1163 NH1 ARG A 70 4.253 -4.679 -12.032 1.00 25.35 N ATOM 1164 NH2 ARG A 70 5.478 -6.528 -12.258 1.00 34.01 N ATOM 0 H ARG A 70 2.587 -5.635 -5.485 1.00 23.51 H new ATOM 0 HA ARG A 70 2.209 -8.202 -6.766 1.00 75.21 H new ATOM 0 HB2 ARG A 70 4.560 -6.234 -6.742 1.00 44.03 H new ATOM 0 HB3 ARG A 70 4.408 -7.597 -7.832 1.00 44.03 H new ATOM 0 HG2 ARG A 70 2.402 -6.598 -8.873 1.00 71.53 H new ATOM 0 HG3 ARG A 70 2.423 -5.278 -7.720 1.00 71.53 H new ATOM 0 HD2 ARG A 70 3.363 -4.410 -9.752 1.00 1.53 H new ATOM 0 HD3 ARG A 70 4.702 -4.602 -8.638 1.00 1.53 H new ATOM 0 HE ARG A 70 5.080 -6.868 -9.873 1.00 32.21 H new ATOM 0 HH11 ARG A 70 3.706 -4.041 -11.454 1.00 25.35 H new ATOM 0 HH12 ARG A 70 4.371 -4.492 -13.028 1.00 25.35 H new ATOM 0 HH21 ARG A 70 5.908 -7.364 -11.863 1.00 34.01 H new ATOM 0 HH22 ARG A 70 5.583 -6.322 -13.251 1.00 34.01 H new ATOM 1178 N ARG A 71 4.098 -8.054 -4.118 1.00 75.41 N ATOM 1179 CA ARG A 71 4.861 -8.830 -3.102 1.00 4.41 C ATOM 1180 C ARG A 71 4.047 -10.054 -2.605 1.00 71.04 C ATOM 1181 O ARG A 71 4.598 -11.146 -2.416 1.00 44.12 O ATOM 1182 CB ARG A 71 5.267 -7.858 -1.945 1.00 24.53 C ATOM 1183 CG ARG A 71 5.945 -8.469 -0.683 1.00 34.54 C ATOM 1184 CD ARG A 71 4.937 -8.861 0.422 1.00 65.42 C ATOM 1185 NE ARG A 71 5.599 -9.159 1.703 1.00 33.20 N ATOM 1186 CZ ARG A 71 5.000 -9.605 2.788 1.00 22.53 C ATOM 1187 NH1 ARG A 71 3.751 -9.962 2.780 1.00 52.24 N ATOM 1188 NH2 ARG A 71 5.675 -9.716 3.882 1.00 3.24 N ATOM 0 H ARG A 71 3.833 -7.123 -3.797 1.00 75.41 H new ATOM 0 HA ARG A 71 5.769 -9.243 -3.542 1.00 4.41 H new ATOM 0 HB2 ARG A 71 5.943 -7.110 -2.359 1.00 24.53 H new ATOM 0 HB3 ARG A 71 4.370 -7.331 -1.620 1.00 24.53 H new ATOM 0 HG2 ARG A 71 6.514 -9.351 -0.976 1.00 34.54 H new ATOM 0 HG3 ARG A 71 6.657 -7.750 -0.277 1.00 34.54 H new ATOM 0 HD2 ARG A 71 4.224 -8.049 0.565 1.00 65.42 H new ATOM 0 HD3 ARG A 71 4.368 -9.732 0.099 1.00 65.42 H new ATOM 0 HE ARG A 71 6.606 -9.007 1.755 1.00 33.20 H new ATOM 0 HH11 ARG A 71 3.209 -9.901 1.918 1.00 52.24 H new ATOM 0 HH12 ARG A 71 3.313 -10.304 3.635 1.00 52.24 H new ATOM 0 HH21 ARG A 71 6.662 -9.459 3.901 1.00 3.24 H new ATOM 0 HH22 ARG A 71 5.222 -10.060 4.728 1.00 3.24 H new