USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 752 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 48 TYR OH : rot 180:sc= 0.204 USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 MET CE :methyl 178:sc= -3.52! (180deg=-3.32!) USER MOD Set 2.2: A 81 MET CE :methyl -175:sc= -1.99 (180deg=-1.53) USER MOD Set 2.3: A 96 CYS SG : rot -78:sc= -5.44! USER MOD Set 3.1: A 40 MET CE :methyl 143:sc= -1.42 (180deg=-1.87!) USER MOD Set 3.2: A 79 THR OG1 : rot 160:sc= -1.23 USER MOD Set 4.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 126 LYS NZ :NH3+ 163:sc= 0.0254 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 7:sc= 0.148 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -71:sc= -4.49! USER MOD Single : A 49 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.00056) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 165:sc= 0 (180deg=-0.442) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 73 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.038) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -130:sc= -14.8! (180deg=-16.6!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 74:sc= -0.0845 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.43) USER MOD Single : A 95 GLN : amide:sc= -0.983 K(o=-0.98,f=-0.011) USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= -1.05 (180deg=-1.11) USER MOD Single : A 99 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.1!) USER MOD Single : A 100 MET CE :methyl -179:sc= 0 (180deg=-0.00213) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc=-0.00285 X(o=-0.0029,f=-0.02) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 133:sc= -0.279 (180deg=-1.13) USER MOD Single : A 122 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.8!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.209 -5.626 -7.321 1.00 0.00 N ATOM 356 CA GLU A 19 128.586 -6.598 -6.377 1.00 0.00 C ATOM 357 C GLU A 19 127.613 -5.880 -5.444 1.00 0.00 C ATOM 358 O GLU A 19 126.420 -6.113 -5.473 1.00 0.00 O ATOM 359 CB GLU A 19 129.754 -7.187 -5.584 1.00 0.00 C ATOM 360 CG GLU A 19 130.686 -7.944 -6.532 1.00 0.00 C ATOM 361 CD GLU A 19 130.073 -9.303 -6.874 1.00 0.00 C ATOM 362 OE1 GLU A 19 129.303 -9.802 -6.070 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.385 -9.823 -7.933 1.00 0.00 O ATOM 0 HA GLU A 19 128.017 -7.369 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 19 130.301 -6.392 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.380 -7.859 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 19 130.844 -7.365 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 19 131.662 -8.080 -6.067 1.00 0.00 H new ATOM 370 N ALA A 20 128.114 -5.011 -4.614 1.00 0.00 N ATOM 371 CA ALA A 20 127.221 -4.275 -3.673 1.00 0.00 C ATOM 372 C ALA A 20 126.159 -3.493 -4.451 1.00 0.00 C ATOM 373 O ALA A 20 124.990 -3.526 -4.124 1.00 0.00 O ATOM 374 CB ALA A 20 128.140 -3.318 -2.914 1.00 0.00 C ATOM 0 H ALA A 20 129.104 -4.777 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 20 126.691 -4.949 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.553 -2.740 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.900 -3.889 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.623 -2.642 -3.619 1.00 0.00 H new ATOM 380 N GLU A 21 126.553 -2.790 -5.477 1.00 0.00 N ATOM 381 CA GLU A 21 125.557 -2.010 -6.268 1.00 0.00 C ATOM 382 C GLU A 21 124.303 -2.854 -6.513 1.00 0.00 C ATOM 383 O GLU A 21 123.213 -2.338 -6.659 1.00 0.00 O ATOM 384 CB GLU A 21 126.257 -1.688 -7.588 1.00 0.00 C ATOM 385 CG GLU A 21 126.910 -2.955 -8.145 1.00 0.00 C ATOM 386 CD GLU A 21 126.386 -3.222 -9.557 1.00 0.00 C ATOM 387 OE1 GLU A 21 125.994 -2.270 -10.213 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.383 -4.373 -9.959 1.00 0.00 O ATOM 0 H GLU A 21 127.517 -2.721 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 21 125.236 -1.106 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.538 -1.292 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.011 -0.916 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.994 -2.840 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.691 -3.804 -7.498 1.00 0.00 H new ATOM 395 N ILE A 22 124.451 -4.150 -6.558 1.00 0.00 N ATOM 396 CA ILE A 22 123.269 -5.029 -6.793 1.00 0.00 C ATOM 397 C ILE A 22 122.578 -5.349 -5.465 1.00 0.00 C ATOM 398 O ILE A 22 121.393 -5.137 -5.304 1.00 0.00 O ATOM 399 CB ILE A 22 123.841 -6.299 -7.421 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.818 -5.920 -8.537 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.702 -7.138 -8.005 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.256 -7.182 -9.283 1.00 0.00 C ATOM 0 H ILE A 22 125.339 -4.639 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 22 122.523 -4.559 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 22 124.364 -6.877 -6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.345 -5.222 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.687 -5.413 -8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.110 -8.044 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.005 -7.408 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.178 -6.561 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 22 125.952 -6.912 -10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 22 125.746 -7.864 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 22 124.383 -7.670 -9.716 1.00 0.00 H new ATOM 414 N LYS A 23 123.311 -5.858 -4.513 1.00 0.00 N ATOM 415 CA LYS A 23 122.698 -6.191 -3.195 1.00 0.00 C ATOM 416 C LYS A 23 121.786 -5.052 -2.735 1.00 0.00 C ATOM 417 O LYS A 23 120.737 -5.275 -2.164 1.00 0.00 O ATOM 418 CB LYS A 23 123.881 -6.351 -2.240 1.00 0.00 C ATOM 419 CG LYS A 23 123.886 -7.769 -1.667 1.00 0.00 C ATOM 420 CD LYS A 23 124.574 -8.716 -2.652 1.00 0.00 C ATOM 421 CE LYS A 23 123.961 -10.113 -2.533 1.00 0.00 C ATOM 422 NZ LYS A 23 122.813 -10.111 -3.481 1.00 0.00 N ATOM 0 H LYS A 23 124.308 -6.058 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 23 122.084 -7.091 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.816 -6.157 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.812 -5.622 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.406 -7.784 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 23 122.865 -8.101 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.461 -8.343 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 125.643 -8.758 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.685 -10.885 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 23 123.631 -10.314 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 122.341 -11.037 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 122.137 -9.370 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 123.158 -9.924 -4.444 1.00 0.00 H new ATOM 436 N VAL A 24 122.176 -3.832 -2.981 1.00 0.00 N ATOM 437 CA VAL A 24 121.332 -2.678 -2.561 1.00 0.00 C ATOM 438 C VAL A 24 120.125 -2.540 -3.494 1.00 0.00 C ATOM 439 O VAL A 24 118.999 -2.414 -3.055 1.00 0.00 O ATOM 440 CB VAL A 24 122.245 -1.457 -2.680 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.494 -0.209 -2.214 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.483 -1.661 -1.805 1.00 0.00 C ATOM 0 H VAL A 24 123.044 -3.584 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 24 120.940 -2.797 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 24 122.549 -1.331 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.146 0.661 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.610 -0.063 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.190 -0.334 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.135 -0.792 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.178 -1.787 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.020 -2.550 -2.136 1.00 0.00 H new ATOM 452 N ARG A 25 120.350 -2.568 -4.780 1.00 0.00 N ATOM 453 CA ARG A 25 119.214 -2.440 -5.738 1.00 0.00 C ATOM 454 C ARG A 25 118.066 -3.359 -5.319 1.00 0.00 C ATOM 455 O ARG A 25 116.909 -2.993 -5.377 1.00 0.00 O ATOM 456 CB ARG A 25 119.782 -2.873 -7.089 1.00 0.00 C ATOM 457 CG ARG A 25 119.508 -1.786 -8.130 1.00 0.00 C ATOM 458 CD ARG A 25 119.815 -2.328 -9.527 1.00 0.00 C ATOM 459 NE ARG A 25 119.535 -1.193 -10.449 1.00 0.00 N ATOM 460 CZ ARG A 25 119.000 -1.417 -11.618 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.735 -1.872 -12.595 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.729 -1.188 -11.809 1.00 0.00 N ATOM 0 H ARG A 25 121.270 -2.674 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 25 118.814 -1.426 -5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.854 -3.049 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.328 -3.813 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.467 -1.467 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 25 120.122 -0.909 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.852 -2.654 -9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.191 -3.191 -9.762 1.00 0.00 H new ATOM 0 HE ARG A 25 119.762 -0.239 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 25 120.728 -2.053 -12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.317 -2.047 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 25 117.154 -0.834 -11.044 1.00 0.00 H new ATOM 0 HH22 ARG A 25 117.311 -1.363 -12.723 1.00 0.00 H new ATOM 476 N GLU A 26 118.379 -4.550 -4.896 1.00 0.00 N ATOM 477 CA GLU A 26 117.309 -5.497 -4.471 1.00 0.00 C ATOM 478 C GLU A 26 116.744 -5.077 -3.111 1.00 0.00 C ATOM 479 O GLU A 26 115.545 -5.015 -2.919 1.00 0.00 O ATOM 480 CB GLU A 26 118.002 -6.856 -4.366 1.00 0.00 C ATOM 481 CG GLU A 26 117.435 -7.800 -5.429 1.00 0.00 C ATOM 482 CD GLU A 26 118.556 -8.686 -5.976 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.685 -8.225 -6.008 1.00 0.00 O ATOM 484 OE2 GLU A 26 118.267 -9.809 -6.354 1.00 0.00 O ATOM 0 H GLU A 26 119.330 -4.911 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 26 116.473 -5.519 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.077 -6.740 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 26 117.851 -7.277 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.646 -8.417 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.984 -7.225 -6.238 1.00 0.00 H new ATOM 491 N ALA A 27 117.596 -4.787 -2.167 1.00 0.00 N ATOM 492 CA ALA A 27 117.107 -4.371 -0.822 1.00 0.00 C ATOM 493 C ALA A 27 115.966 -3.360 -0.967 1.00 0.00 C ATOM 494 O ALA A 27 114.937 -3.475 -0.330 1.00 0.00 O ATOM 495 CB ALA A 27 118.314 -3.721 -0.144 1.00 0.00 C ATOM 0 H ALA A 27 118.610 -4.820 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 27 116.719 -5.211 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.034 -3.387 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.124 -4.446 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.645 -2.866 -0.733 1.00 0.00 H new ATOM 501 N THR A 28 116.140 -2.371 -1.799 1.00 0.00 N ATOM 502 CA THR A 28 115.066 -1.354 -1.985 1.00 0.00 C ATOM 503 C THR A 28 113.917 -1.939 -2.811 1.00 0.00 C ATOM 504 O THR A 28 112.770 -1.579 -2.639 1.00 0.00 O ATOM 505 CB THR A 28 115.736 -0.203 -2.735 1.00 0.00 C ATOM 506 OG1 THR A 28 116.364 -0.707 -3.906 1.00 0.00 O ATOM 507 CG2 THR A 28 116.785 0.453 -1.836 1.00 0.00 C ATOM 0 H THR A 28 116.980 -2.223 -2.359 1.00 0.00 H new ATOM 0 HA THR A 28 114.638 -1.028 -1.037 1.00 0.00 H new ATOM 0 HB THR A 28 114.985 0.537 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.127 -1.651 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.262 1.273 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.304 0.838 -0.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.538 -0.284 -1.557 1.00 0.00 H new ATOM 644 N LEU A 39 119.911 -10.412 2.682 1.00 0.00 N ATOM 645 CA LEU A 39 120.500 -9.413 1.745 1.00 0.00 C ATOM 646 C LEU A 39 120.938 -8.162 2.511 1.00 0.00 C ATOM 647 O LEU A 39 121.778 -7.409 2.061 1.00 0.00 O ATOM 648 CB LEU A 39 119.374 -9.076 0.768 1.00 0.00 C ATOM 649 CG LEU A 39 119.838 -7.979 -0.191 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.667 -8.456 -1.634 1.00 0.00 C ATOM 651 CD2 LEU A 39 118.996 -6.720 0.033 1.00 0.00 C ATOM 0 HA LEU A 39 121.383 -9.797 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.087 -9.966 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.491 -8.745 1.315 1.00 0.00 H new ATOM 0 HG LEU A 39 120.888 -7.754 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 119.998 -7.674 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.264 -9.354 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 39 118.617 -8.681 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.325 -5.936 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 39 117.946 -6.946 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.117 -6.380 1.061 1.00 0.00 H new ATOM 663 N MET A 40 120.374 -7.936 3.666 1.00 0.00 N ATOM 664 CA MET A 40 120.757 -6.734 4.460 1.00 0.00 C ATOM 665 C MET A 40 122.154 -6.920 5.062 1.00 0.00 C ATOM 666 O MET A 40 123.014 -6.073 4.933 1.00 0.00 O ATOM 667 CB MET A 40 119.706 -6.639 5.566 1.00 0.00 C ATOM 668 CG MET A 40 118.728 -5.507 5.244 1.00 0.00 C ATOM 669 SD MET A 40 117.077 -5.949 5.843 1.00 0.00 S ATOM 670 CE MET A 40 116.670 -4.348 6.581 1.00 0.00 C ATOM 0 H MET A 40 119.665 -8.531 4.094 1.00 0.00 H new ATOM 0 HA MET A 40 120.791 -5.831 3.851 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.169 -7.584 5.655 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.188 -6.455 6.526 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.061 -4.580 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.701 -5.330 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.613 -4.133 6.424 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.880 -4.376 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.272 -3.568 6.114 1.00 0.00 H new ATOM 680 N SER A 41 122.385 -8.024 5.720 1.00 0.00 N ATOM 681 CA SER A 41 123.724 -8.262 6.331 1.00 0.00 C ATOM 682 C SER A 41 124.814 -8.220 5.256 1.00 0.00 C ATOM 683 O SER A 41 125.946 -7.871 5.521 1.00 0.00 O ATOM 684 CB SER A 41 123.637 -9.656 6.950 1.00 0.00 C ATOM 685 OG SER A 41 123.396 -10.611 5.926 1.00 0.00 O ATOM 0 H SER A 41 121.705 -8.771 5.861 1.00 0.00 H new ATOM 0 HA SER A 41 123.979 -7.503 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 41 124.564 -9.893 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 41 122.837 -9.689 7.689 1.00 0.00 H new ATOM 0 HG SER A 41 123.341 -11.507 6.320 1.00 0.00 H new ATOM 691 N GLU A 42 124.481 -8.576 4.046 1.00 0.00 N ATOM 692 CA GLU A 42 125.500 -8.558 2.959 1.00 0.00 C ATOM 693 C GLU A 42 125.816 -7.116 2.553 1.00 0.00 C ATOM 694 O GLU A 42 126.963 -6.732 2.435 1.00 0.00 O ATOM 695 CB GLU A 42 124.855 -9.315 1.797 1.00 0.00 C ATOM 696 CG GLU A 42 125.250 -10.791 1.866 1.00 0.00 C ATOM 697 CD GLU A 42 125.266 -11.382 0.455 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.215 -11.795 -0.004 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.331 -11.411 -0.141 1.00 0.00 O ATOM 0 H GLU A 42 123.549 -8.878 3.763 1.00 0.00 H new ATOM 0 HA GLU A 42 126.441 -9.013 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 42 123.770 -9.216 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.175 -8.886 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.233 -10.894 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.546 -11.338 2.493 1.00 0.00 H new ATOM 706 N ILE A 43 124.809 -6.315 2.338 1.00 0.00 N ATOM 707 CA ILE A 43 125.058 -4.900 1.940 1.00 0.00 C ATOM 708 C ILE A 43 125.914 -4.196 2.996 1.00 0.00 C ATOM 709 O ILE A 43 126.787 -3.414 2.679 1.00 0.00 O ATOM 710 CB ILE A 43 123.672 -4.263 1.851 1.00 0.00 C ATOM 711 CG1 ILE A 43 122.983 -4.729 0.566 1.00 0.00 C ATOM 712 CG2 ILE A 43 123.812 -2.741 1.830 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.465 -4.643 0.740 1.00 0.00 C ATOM 0 H ILE A 43 123.827 -6.578 2.420 1.00 0.00 H new ATOM 0 HA ILE A 43 125.599 -4.824 0.997 1.00 0.00 H new ATOM 0 HB ILE A 43 123.076 -4.561 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.299 -4.110 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.276 -5.753 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 43 122.824 -2.286 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.307 -2.409 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.405 -2.442 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 43 120.975 -4.975 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.157 -5.281 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.181 -3.612 0.951 1.00 0.00 H new ATOM 725 N ALA A 44 125.681 -4.473 4.250 1.00 0.00 N ATOM 726 CA ALA A 44 126.495 -3.822 5.316 1.00 0.00 C ATOM 727 C ALA A 44 127.932 -4.350 5.254 1.00 0.00 C ATOM 728 O ALA A 44 128.889 -3.597 5.274 1.00 0.00 O ATOM 729 CB ALA A 44 125.823 -4.219 6.630 1.00 0.00 C ATOM 0 H ALA A 44 124.965 -5.119 4.582 1.00 0.00 H new ATOM 0 HA ALA A 44 126.545 -2.739 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.366 -3.777 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 44 124.794 -3.860 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 44 125.829 -5.305 6.728 1.00 0.00 H new ATOM 735 N ASP A 45 128.092 -5.641 5.160 1.00 0.00 N ATOM 736 CA ASP A 45 129.466 -6.204 5.073 1.00 0.00 C ATOM 737 C ASP A 45 130.200 -5.555 3.898 1.00 0.00 C ATOM 738 O ASP A 45 131.411 -5.583 3.814 1.00 0.00 O ATOM 739 CB ASP A 45 129.270 -7.702 4.831 1.00 0.00 C ATOM 740 CG ASP A 45 130.623 -8.356 4.548 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.227 -8.013 3.544 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.034 -9.190 5.338 1.00 0.00 O ATOM 0 H ASP A 45 127.336 -6.325 5.140 1.00 0.00 H new ATOM 0 HA ASP A 45 130.058 -6.022 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.806 -8.164 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 45 128.595 -7.860 3.990 1.00 0.00 H new ATOM 747 N LEU A 46 129.466 -4.965 2.993 1.00 0.00 N ATOM 748 CA LEU A 46 130.107 -4.306 1.822 1.00 0.00 C ATOM 749 C LEU A 46 130.523 -2.877 2.182 1.00 0.00 C ATOM 750 O LEU A 46 131.520 -2.377 1.704 1.00 0.00 O ATOM 751 CB LEU A 46 129.039 -4.299 0.729 1.00 0.00 C ATOM 752 CG LEU A 46 128.987 -5.672 0.056 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.889 -5.679 -1.008 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.335 -5.967 -0.605 1.00 0.00 C ATOM 0 H LEU A 46 128.448 -4.912 3.016 1.00 0.00 H new ATOM 0 HA LEU A 46 131.009 -4.827 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.067 -4.055 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.264 -3.529 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 46 128.773 -6.434 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.853 -6.657 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 46 126.927 -5.468 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 46 128.103 -4.916 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.299 -6.945 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.548 -5.204 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.120 -5.963 0.151 1.00 0.00 H new ATOM 766 N THR A 47 129.775 -2.214 3.025 1.00 0.00 N ATOM 767 CA THR A 47 130.161 -0.823 3.402 1.00 0.00 C ATOM 768 C THR A 47 131.577 -0.829 3.957 1.00 0.00 C ATOM 769 O THR A 47 132.389 0.014 3.628 1.00 0.00 O ATOM 770 CB THR A 47 129.176 -0.380 4.486 1.00 0.00 C ATOM 771 OG1 THR A 47 129.157 -1.336 5.534 1.00 0.00 O ATOM 772 CG2 THR A 47 127.781 -0.243 3.889 1.00 0.00 C ATOM 0 H THR A 47 128.925 -2.570 3.463 1.00 0.00 H new ATOM 0 HA THR A 47 130.131 -0.149 2.546 1.00 0.00 H new ATOM 0 HB THR A 47 129.491 0.584 4.885 1.00 0.00 H new ATOM 0 HG1 THR A 47 128.708 -2.151 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.083 0.073 4.664 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.798 0.500 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.463 -1.203 3.483 1.00 0.00 H new ATOM 780 N TYR A 48 131.878 -1.783 4.795 1.00 0.00 N ATOM 781 CA TYR A 48 133.253 -1.860 5.374 1.00 0.00 C ATOM 782 C TYR A 48 134.285 -1.555 4.287 1.00 0.00 C ATOM 783 O TYR A 48 135.288 -0.911 4.525 1.00 0.00 O ATOM 784 CB TYR A 48 133.404 -3.300 5.860 1.00 0.00 C ATOM 785 CG TYR A 48 132.481 -3.538 7.029 1.00 0.00 C ATOM 786 CD1 TYR A 48 132.882 -3.184 8.322 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.225 -4.117 6.820 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.027 -3.408 9.407 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.368 -4.343 7.904 1.00 0.00 C ATOM 790 CZ TYR A 48 130.770 -3.988 9.198 1.00 0.00 C ATOM 791 OH TYR A 48 129.928 -4.211 10.268 1.00 0.00 O ATOM 0 H TYR A 48 131.235 -2.511 5.104 1.00 0.00 H new ATOM 0 HA TYR A 48 133.405 -1.144 6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.171 -3.994 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.436 -3.489 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 48 133.852 -2.738 8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 48 130.916 -4.390 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 48 132.337 -3.134 10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.398 -4.790 7.743 1.00 0.00 H new ATOM 0 HH TYR A 48 129.095 -4.619 9.950 1.00 0.00 H new ATOM 801 N ASN A 49 134.033 -2.010 3.091 1.00 0.00 N ATOM 802 CA ASN A 49 134.981 -1.749 1.969 1.00 0.00 C ATOM 803 C ASN A 49 134.766 -0.353 1.409 1.00 0.00 C ATOM 804 O ASN A 49 133.989 -0.150 0.499 1.00 0.00 O ATOM 805 CB ASN A 49 134.660 -2.812 0.917 1.00 0.00 C ATOM 806 CG ASN A 49 135.574 -4.022 1.118 1.00 0.00 C ATOM 807 OD1 ASN A 49 135.923 -4.698 0.170 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.980 -4.327 2.320 1.00 0.00 N ATOM 0 H ASN A 49 133.207 -2.554 2.840 1.00 0.00 H new ATOM 0 HA ASN A 49 136.021 -1.801 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.616 -3.114 0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.797 -2.402 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.590 -5.132 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 49 135.688 -3.760 3.116 1.00 0.00 H new ATOM 815 N VAL A 50 135.494 0.584 1.953 1.00 0.00 N ATOM 816 CA VAL A 50 135.453 2.010 1.508 1.00 0.00 C ATOM 817 C VAL A 50 134.662 2.190 0.203 1.00 0.00 C ATOM 818 O VAL A 50 133.692 2.920 0.155 1.00 0.00 O ATOM 819 CB VAL A 50 136.942 2.370 1.317 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.740 1.148 0.809 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.081 3.517 0.309 1.00 0.00 C ATOM 0 H VAL A 50 136.143 0.412 2.721 1.00 0.00 H new ATOM 0 HA VAL A 50 134.945 2.653 2.227 1.00 0.00 H new ATOM 0 HB VAL A 50 137.342 2.679 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.787 1.424 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.665 0.337 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.332 0.819 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.135 3.763 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 50 136.661 3.212 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 50 136.546 4.392 0.678 1.00 0.00 H new ATOM 831 N VAL A 51 135.060 1.530 -0.850 1.00 0.00 N ATOM 832 CA VAL A 51 134.317 1.671 -2.136 1.00 0.00 C ATOM 833 C VAL A 51 132.909 1.111 -1.992 1.00 0.00 C ATOM 834 O VAL A 51 131.928 1.819 -2.102 1.00 0.00 O ATOM 835 CB VAL A 51 135.102 0.832 -3.151 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.176 0.382 -4.299 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.247 1.673 -3.718 1.00 0.00 C ATOM 0 H VAL A 51 135.863 0.902 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 51 134.229 2.714 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 51 135.502 -0.052 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.745 -0.213 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.361 -0.218 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.767 1.259 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.809 1.082 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.840 2.557 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.908 1.981 -2.908 1.00 0.00 H new ATOM 847 N ALA A 52 132.818 -0.173 -1.793 1.00 0.00 N ATOM 848 CA ALA A 52 131.490 -0.823 -1.686 1.00 0.00 C ATOM 849 C ALA A 52 130.514 0.074 -0.924 1.00 0.00 C ATOM 850 O ALA A 52 129.381 0.248 -1.317 1.00 0.00 O ATOM 851 CB ALA A 52 131.742 -2.119 -0.919 1.00 0.00 C ATOM 0 H ALA A 52 133.615 -0.803 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 52 131.045 -1.009 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.803 -2.659 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.448 -2.738 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.155 -1.886 0.063 1.00 0.00 H new ATOM 857 N PHE A 53 130.952 0.646 0.163 1.00 0.00 N ATOM 858 CA PHE A 53 130.056 1.540 0.954 1.00 0.00 C ATOM 859 C PHE A 53 129.530 2.675 0.063 1.00 0.00 C ATOM 860 O PHE A 53 128.338 2.876 -0.064 1.00 0.00 O ATOM 861 CB PHE A 53 130.948 2.077 2.089 1.00 0.00 C ATOM 862 CG PHE A 53 130.588 3.508 2.418 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.406 3.794 3.113 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.435 4.548 2.018 1.00 0.00 C ATOM 865 CE1 PHE A 53 129.075 5.122 3.408 1.00 0.00 C ATOM 866 CE2 PHE A 53 131.103 5.875 2.313 1.00 0.00 C ATOM 867 CZ PHE A 53 129.924 6.163 3.007 1.00 0.00 C ATOM 0 H PHE A 53 131.893 0.534 0.540 1.00 0.00 H new ATOM 0 HA PHE A 53 129.178 1.027 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 53 130.832 1.454 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.996 2.019 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.751 2.992 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.346 4.326 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.165 5.345 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.758 6.677 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.667 7.187 3.234 1.00 0.00 H new ATOM 877 N SER A 54 130.410 3.421 -0.547 1.00 0.00 N ATOM 878 CA SER A 54 129.960 4.542 -1.422 1.00 0.00 C ATOM 879 C SER A 54 128.987 4.026 -2.485 1.00 0.00 C ATOM 880 O SER A 54 128.089 4.724 -2.911 1.00 0.00 O ATOM 881 CB SER A 54 131.235 5.073 -2.075 1.00 0.00 C ATOM 882 OG SER A 54 130.932 6.256 -2.804 1.00 0.00 O ATOM 0 H SER A 54 131.421 3.303 -0.478 1.00 0.00 H new ATOM 0 HA SER A 54 129.436 5.317 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.987 5.283 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.657 4.320 -2.740 1.00 0.00 H new ATOM 0 HG SER A 54 131.748 6.600 -3.223 1.00 0.00 H new ATOM 888 N GLU A 55 129.160 2.807 -2.915 1.00 0.00 N ATOM 889 CA GLU A 55 128.248 2.243 -3.951 1.00 0.00 C ATOM 890 C GLU A 55 126.916 1.827 -3.314 1.00 0.00 C ATOM 891 O GLU A 55 125.887 1.804 -3.961 1.00 0.00 O ATOM 892 CB GLU A 55 128.988 1.021 -4.502 1.00 0.00 C ATOM 893 CG GLU A 55 130.429 1.406 -4.850 1.00 0.00 C ATOM 894 CD GLU A 55 130.617 1.362 -6.368 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.701 1.753 -7.070 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.676 0.937 -6.801 1.00 0.00 O ATOM 0 H GLU A 55 129.894 2.176 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 55 128.012 2.964 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.983 0.218 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.478 0.643 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.651 2.405 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.126 0.722 -4.367 1.00 0.00 H new ATOM 903 N ILE A 56 126.931 1.498 -2.052 1.00 0.00 N ATOM 904 CA ILE A 56 125.672 1.079 -1.370 1.00 0.00 C ATOM 905 C ILE A 56 124.823 2.308 -1.023 1.00 0.00 C ATOM 906 O ILE A 56 123.785 2.540 -1.609 1.00 0.00 O ATOM 907 CB ILE A 56 126.136 0.365 -0.099 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.609 -1.047 -0.456 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.977 0.274 0.896 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.793 -1.429 0.432 1.00 0.00 C ATOM 0 H ILE A 56 127.763 1.501 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 56 125.053 0.437 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 56 126.955 0.926 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.795 -1.759 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.900 -1.090 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.312 -0.235 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.636 1.278 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.156 -0.285 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.129 -2.434 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.608 -0.723 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.487 -1.403 1.478 1.00 0.00 H new ATOM 922 N MET A 57 125.257 3.098 -0.078 1.00 0.00 N ATOM 923 CA MET A 57 124.473 4.309 0.296 1.00 0.00 C ATOM 924 C MET A 57 124.050 5.061 -0.966 1.00 0.00 C ATOM 925 O MET A 57 122.976 5.624 -1.035 1.00 0.00 O ATOM 926 CB MET A 57 125.426 5.160 1.135 1.00 0.00 C ATOM 927 CG MET A 57 125.698 4.456 2.466 1.00 0.00 C ATOM 928 SD MET A 57 125.683 5.672 3.808 1.00 0.00 S ATOM 929 CE MET A 57 124.047 6.368 3.473 1.00 0.00 C ATOM 0 H MET A 57 126.118 2.957 0.450 1.00 0.00 H new ATOM 0 HA MET A 57 123.564 4.063 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.361 5.317 0.597 1.00 0.00 H new ATOM 0 HB3 MET A 57 124.992 6.144 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 57 124.943 3.691 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.662 3.949 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.815 7.128 4.219 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.040 6.820 2.481 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.299 5.576 3.516 1.00 0.00 H new ATOM 939 N SER A 58 124.885 5.069 -1.970 1.00 0.00 N ATOM 940 CA SER A 58 124.524 5.778 -3.230 1.00 0.00 C ATOM 941 C SER A 58 123.195 5.239 -3.761 1.00 0.00 C ATOM 942 O SER A 58 122.224 5.960 -3.879 1.00 0.00 O ATOM 943 CB SER A 58 125.660 5.467 -4.204 1.00 0.00 C ATOM 944 OG SER A 58 125.174 5.567 -5.537 1.00 0.00 O ATOM 0 H SER A 58 125.799 4.616 -1.972 1.00 0.00 H new ATOM 0 HA SER A 58 124.403 6.852 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.486 6.162 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 58 126.049 4.465 -4.020 1.00 0.00 H new ATOM 0 HG SER A 58 125.900 5.370 -6.165 1.00 0.00 H new ATOM 950 N MET A 59 123.140 3.971 -4.072 1.00 0.00 N ATOM 951 CA MET A 59 121.868 3.388 -4.583 1.00 0.00 C ATOM 952 C MET A 59 120.768 3.549 -3.531 1.00 0.00 C ATOM 953 O MET A 59 119.591 3.498 -3.832 1.00 0.00 O ATOM 954 CB MET A 59 122.174 1.908 -4.821 1.00 0.00 C ATOM 955 CG MET A 59 123.131 1.769 -6.006 1.00 0.00 C ATOM 956 SD MET A 59 122.367 0.737 -7.282 1.00 0.00 S ATOM 957 CE MET A 59 123.645 0.953 -8.545 1.00 0.00 C ATOM 0 H MET A 59 123.919 3.317 -3.994 1.00 0.00 H new ATOM 0 HA MET A 59 121.520 3.877 -5.492 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.618 1.469 -3.928 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.251 1.362 -5.019 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.368 2.752 -6.412 1.00 0.00 H new ATOM 0 HG3 MET A 59 124.071 1.324 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 59 123.520 0.199 -9.322 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.557 1.946 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 59 124.629 0.845 -8.089 1.00 0.00 H new ATOM 967 N ILE A 60 121.147 3.752 -2.298 1.00 0.00 N ATOM 968 CA ILE A 60 120.133 3.925 -1.220 1.00 0.00 C ATOM 969 C ILE A 60 119.515 5.327 -1.313 1.00 0.00 C ATOM 970 O ILE A 60 118.366 5.531 -0.979 1.00 0.00 O ATOM 971 CB ILE A 60 120.920 3.731 0.087 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.787 2.275 0.541 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.380 4.649 1.191 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.954 1.916 1.463 1.00 0.00 C ATOM 0 H ILE A 60 122.118 3.806 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 60 119.304 3.221 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 60 121.965 3.980 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.841 2.131 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.778 1.613 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 60 120.952 4.494 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.472 5.689 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.331 4.418 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.858 0.879 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.894 2.043 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 60 121.943 2.569 2.335 1.00 0.00 H new ATOM 986 N TRP A 61 120.270 6.291 -1.766 1.00 0.00 N ATOM 987 CA TRP A 61 119.726 7.675 -1.881 1.00 0.00 C ATOM 988 C TRP A 61 118.776 7.772 -3.078 1.00 0.00 C ATOM 989 O TRP A 61 117.665 8.252 -2.964 1.00 0.00 O ATOM 990 CB TRP A 61 120.949 8.568 -2.097 1.00 0.00 C ATOM 991 CG TRP A 61 121.746 8.639 -0.835 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.076 8.412 -0.741 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.290 8.957 0.512 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.465 8.567 0.578 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.399 8.904 1.388 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.032 9.282 1.052 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.266 9.164 2.753 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.895 9.544 2.425 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.009 9.485 3.273 1.00 0.00 C ATOM 0 H TRP A 61 121.240 6.180 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 61 119.158 7.968 -0.998 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.563 8.171 -2.905 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.634 9.567 -2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.728 8.152 -1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.422 8.447 0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.167 9.330 0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.128 9.117 3.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.925 9.792 2.830 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.896 9.687 4.328 1.00 0.00 H new ATOM 1010 N LYS A 62 119.204 7.321 -4.225 1.00 0.00 N ATOM 1011 CA LYS A 62 118.327 7.387 -5.429 1.00 0.00 C ATOM 1012 C LYS A 62 116.970 6.740 -5.135 1.00 0.00 C ATOM 1013 O LYS A 62 115.932 7.353 -5.291 1.00 0.00 O ATOM 1014 CB LYS A 62 119.073 6.600 -6.506 1.00 0.00 C ATOM 1015 CG LYS A 62 119.728 7.572 -7.491 1.00 0.00 C ATOM 1016 CD LYS A 62 120.697 8.486 -6.739 1.00 0.00 C ATOM 1017 CE LYS A 62 120.893 9.782 -7.528 1.00 0.00 C ATOM 1018 NZ LYS A 62 121.881 9.441 -8.590 1.00 0.00 N ATOM 0 H LYS A 62 120.124 6.909 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 62 118.128 8.413 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.831 5.965 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.383 5.942 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.260 7.019 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 62 118.965 8.167 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.307 8.708 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.654 7.984 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 119.953 10.127 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.263 10.582 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.067 10.281 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.768 9.122 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.499 8.681 -9.189 1.00 0.00 H new ATOM 1032 N ARG A 63 116.970 5.505 -4.713 1.00 0.00 N ATOM 1033 CA ARG A 63 115.681 4.818 -4.413 1.00 0.00 C ATOM 1034 C ARG A 63 115.021 5.436 -3.177 1.00 0.00 C ATOM 1035 O ARG A 63 113.861 5.206 -2.901 1.00 0.00 O ATOM 1036 CB ARG A 63 116.062 3.363 -4.142 1.00 0.00 C ATOM 1037 CG ARG A 63 116.666 2.746 -5.406 1.00 0.00 C ATOM 1038 CD ARG A 63 115.747 1.636 -5.921 1.00 0.00 C ATOM 1039 NE ARG A 63 115.103 2.204 -7.138 1.00 0.00 N ATOM 1040 CZ ARG A 63 114.631 1.408 -8.058 1.00 0.00 C ATOM 1041 NH1 ARG A 63 114.405 0.153 -7.781 1.00 0.00 N ATOM 1042 NH2 ARG A 63 114.385 1.867 -9.255 1.00 0.00 N ATOM 0 H ARG A 63 117.807 4.942 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 63 114.967 4.910 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.778 3.311 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.183 2.798 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.794 3.511 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.655 2.343 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 63 116.311 0.734 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.004 1.360 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 63 115.031 3.215 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 63 114.597 -0.205 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 63 114.036 -0.470 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 63 114.562 2.848 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 63 114.016 1.245 -9.974 1.00 0.00 H new ATOM 1056 N LEU A 64 115.753 6.215 -2.428 1.00 0.00 N ATOM 1057 CA LEU A 64 115.166 6.842 -1.209 1.00 0.00 C ATOM 1058 C LEU A 64 114.290 8.036 -1.588 1.00 0.00 C ATOM 1059 O LEU A 64 113.390 8.411 -0.865 1.00 0.00 O ATOM 1060 CB LEU A 64 116.364 7.312 -0.387 1.00 0.00 C ATOM 1061 CG LEU A 64 116.554 6.383 0.811 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.799 6.801 1.597 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.325 6.475 1.715 1.00 0.00 C ATOM 0 H LEU A 64 116.731 6.444 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 64 114.534 6.144 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.263 7.317 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.206 8.335 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 64 116.679 5.358 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.931 6.136 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.675 6.740 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.679 7.825 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.454 5.814 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.205 7.501 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.439 6.175 1.156 1.00 0.00 H new ATOM 1075 N ASN A 65 114.552 8.639 -2.711 1.00 0.00 N ATOM 1076 CA ASN A 65 113.741 9.809 -3.128 1.00 0.00 C ATOM 1077 C ASN A 65 112.935 9.472 -4.385 1.00 0.00 C ATOM 1078 O ASN A 65 112.849 10.256 -5.308 1.00 0.00 O ATOM 1079 CB ASN A 65 114.757 10.913 -3.420 1.00 0.00 C ATOM 1080 CG ASN A 65 114.832 11.867 -2.227 1.00 0.00 C ATOM 1081 OD1 ASN A 65 115.771 11.821 -1.456 1.00 0.00 O ATOM 1082 ND2 ASN A 65 113.877 12.736 -2.040 1.00 0.00 N ATOM 0 H ASN A 65 115.294 8.371 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 65 113.025 10.109 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.737 10.478 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.468 11.459 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.918 13.376 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.089 12.775 -2.687 1.00 0.00 H new ATOM 1161 N TRP A 71 106.793 4.304 -3.863 1.00 0.00 N ATOM 1162 CA TRP A 71 107.571 4.728 -2.662 1.00 0.00 C ATOM 1163 C TRP A 71 107.992 3.504 -1.844 1.00 0.00 C ATOM 1164 O TRP A 71 108.842 3.588 -0.981 1.00 0.00 O ATOM 1165 CB TRP A 71 106.630 5.627 -1.853 1.00 0.00 C ATOM 1166 CG TRP A 71 105.247 5.054 -1.836 1.00 0.00 C ATOM 1167 CD1 TRP A 71 104.925 3.804 -1.433 1.00 0.00 C ATOM 1168 CD2 TRP A 71 103.999 5.690 -2.234 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.558 3.633 -1.556 1.00 0.00 N ATOM 1170 CE2 TRP A 71 102.943 4.767 -2.047 1.00 0.00 C ATOM 1171 CE3 TRP A 71 103.683 6.965 -2.734 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 101.621 5.098 -2.346 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 102.353 7.303 -3.036 1.00 0.00 C ATOM 1174 CH2 TRP A 71 101.325 6.370 -2.842 1.00 0.00 C ATOM 0 HA TRP A 71 108.485 5.256 -2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.001 5.728 -0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.611 6.627 -2.286 1.00 0.00 H new ATOM 0 HD1 TRP A 71 105.621 3.061 -1.074 1.00 0.00 H new ATOM 0 HE1 TRP A 71 103.065 2.774 -1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 71 104.468 7.690 -2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 100.832 4.376 -2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 102.122 8.286 -3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 71 100.304 6.634 -3.076 1.00 0.00 H new ATOM 1185 N ARG A 72 107.411 2.365 -2.112 1.00 0.00 N ATOM 1186 CA ARG A 72 107.793 1.144 -1.350 1.00 0.00 C ATOM 1187 C ARG A 72 109.317 1.031 -1.293 1.00 0.00 C ATOM 1188 O ARG A 72 109.882 0.603 -0.306 1.00 0.00 O ATOM 1189 CB ARG A 72 107.195 -0.022 -2.137 1.00 0.00 C ATOM 1190 CG ARG A 72 106.491 -0.979 -1.173 1.00 0.00 C ATOM 1191 CD ARG A 72 105.592 -1.932 -1.960 1.00 0.00 C ATOM 1192 NE ARG A 72 105.422 -3.118 -1.074 1.00 0.00 N ATOM 1193 CZ ARG A 72 104.511 -3.113 -0.139 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.867 -2.014 0.143 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.246 -4.212 0.516 1.00 0.00 N ATOM 0 H ARG A 72 106.692 2.229 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 72 107.431 1.161 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.488 0.350 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.980 -0.548 -2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 72 107.228 -1.545 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.898 -0.415 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.632 -1.470 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.048 -2.211 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 72 106.019 -3.936 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.075 -1.156 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 72 103.156 -2.013 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.750 -5.071 0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.535 -4.211 1.247 1.00 0.00 H new ATOM 1209 N HIS A 73 109.987 1.420 -2.344 1.00 0.00 N ATOM 1210 CA HIS A 73 111.474 1.345 -2.349 1.00 0.00 C ATOM 1211 C HIS A 73 112.040 2.239 -1.245 1.00 0.00 C ATOM 1212 O HIS A 73 112.887 1.832 -0.475 1.00 0.00 O ATOM 1213 CB HIS A 73 111.894 1.862 -3.726 1.00 0.00 C ATOM 1214 CG HIS A 73 111.461 0.884 -4.782 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.702 1.097 -6.131 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.802 -0.318 -4.704 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.195 0.048 -6.804 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.635 -0.844 -5.982 1.00 0.00 N ATOM 0 H HIS A 73 109.568 1.786 -3.199 1.00 0.00 H new ATOM 0 HA HIS A 73 111.841 0.335 -2.167 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.445 2.837 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.975 1.997 -3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 73 110.465 -0.784 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.236 -0.060 -7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.182 -1.722 -6.236 1.00 0.00 H new ATOM 1226 N VAL A 74 111.571 3.455 -1.158 1.00 0.00 N ATOM 1227 CA VAL A 74 112.074 4.374 -0.097 1.00 0.00 C ATOM 1228 C VAL A 74 112.005 3.678 1.264 1.00 0.00 C ATOM 1229 O VAL A 74 112.941 3.708 2.038 1.00 0.00 O ATOM 1230 CB VAL A 74 111.132 5.577 -0.137 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.414 6.487 1.061 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.356 6.357 -1.435 1.00 0.00 C ATOM 0 H VAL A 74 110.862 3.851 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 74 113.111 4.669 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 74 110.099 5.231 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.742 7.345 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.254 5.932 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.447 6.833 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.685 7.215 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.389 6.703 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.154 5.709 -2.288 1.00 0.00 H new ATOM 1242 N TYR A 75 110.903 3.045 1.557 1.00 0.00 N ATOM 1243 CA TYR A 75 110.774 2.342 2.864 1.00 0.00 C ATOM 1244 C TYR A 75 111.898 1.314 3.013 1.00 0.00 C ATOM 1245 O TYR A 75 112.612 1.296 3.996 1.00 0.00 O ATOM 1246 CB TYR A 75 109.413 1.648 2.807 1.00 0.00 C ATOM 1247 CG TYR A 75 109.040 1.151 4.183 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.262 1.959 5.303 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.469 -0.118 4.337 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.913 1.499 6.579 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.120 -0.579 5.611 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.342 0.229 6.733 1.00 0.00 C ATOM 1253 OH TYR A 75 107.997 -0.224 7.989 1.00 0.00 O ATOM 0 H TYR A 75 110.087 2.984 0.948 1.00 0.00 H new ATOM 0 HA TYR A 75 110.846 3.021 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.655 2.341 2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.448 0.815 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.703 2.938 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.298 -0.741 3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.084 2.123 7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.679 -1.558 5.729 1.00 0.00 H new ATOM 0 HH TYR A 75 107.613 -1.123 7.918 1.00 0.00 H new ATOM 1263 N LYS A 76 112.063 0.460 2.039 1.00 0.00 N ATOM 1264 CA LYS A 76 113.145 -0.562 2.123 1.00 0.00 C ATOM 1265 C LYS A 76 114.509 0.131 2.173 1.00 0.00 C ATOM 1266 O LYS A 76 115.495 -0.446 2.587 1.00 0.00 O ATOM 1267 CB LYS A 76 113.011 -1.391 0.845 1.00 0.00 C ATOM 1268 CG LYS A 76 111.624 -2.038 0.798 1.00 0.00 C ATOM 1269 CD LYS A 76 111.481 -3.022 1.959 1.00 0.00 C ATOM 1270 CE LYS A 76 112.688 -3.961 1.987 1.00 0.00 C ATOM 1271 NZ LYS A 76 112.313 -5.041 2.941 1.00 0.00 N ATOM 0 H LYS A 76 111.497 0.426 1.191 1.00 0.00 H new ATOM 0 HA LYS A 76 113.064 -1.182 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.158 -0.757 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.783 -2.159 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.851 -1.272 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.485 -2.556 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.407 -2.480 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.562 -3.598 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 76 112.897 -4.364 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.587 -3.439 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 113.092 -5.726 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 112.126 -4.628 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.458 -5.525 2.599 1.00 0.00 H new ATOM 1285 N ALA A 77 114.569 1.366 1.756 1.00 0.00 N ATOM 1286 CA ALA A 77 115.865 2.101 1.783 1.00 0.00 C ATOM 1287 C ALA A 77 116.151 2.601 3.199 1.00 0.00 C ATOM 1288 O ALA A 77 117.288 2.708 3.613 1.00 0.00 O ATOM 1289 CB ALA A 77 115.676 3.279 0.826 1.00 0.00 C ATOM 0 H ALA A 77 113.776 1.898 1.398 1.00 0.00 H new ATOM 0 HA ALA A 77 116.705 1.472 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.591 3.870 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.448 2.904 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.854 3.903 1.175 1.00 0.00 H new ATOM 1295 N MET A 78 115.126 2.902 3.946 1.00 0.00 N ATOM 1296 CA MET A 78 115.339 3.390 5.338 1.00 0.00 C ATOM 1297 C MET A 78 115.895 2.259 6.206 1.00 0.00 C ATOM 1298 O MET A 78 116.842 2.439 6.944 1.00 0.00 O ATOM 1299 CB MET A 78 113.954 3.812 5.827 1.00 0.00 C ATOM 1300 CG MET A 78 113.806 5.329 5.697 1.00 0.00 C ATOM 1301 SD MET A 78 113.345 5.746 3.997 1.00 0.00 S ATOM 1302 CE MET A 78 111.557 5.827 4.261 1.00 0.00 C ATOM 0 H MET A 78 114.151 2.832 3.654 1.00 0.00 H new ATOM 0 HA MET A 78 116.053 4.212 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.182 3.310 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.816 3.510 6.865 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.047 5.692 6.390 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.742 5.821 5.962 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.050 5.227 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.318 5.441 5.252 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.225 6.862 4.185 1.00 0.00 H new ATOM 1312 N THR A 79 115.316 1.093 6.120 1.00 0.00 N ATOM 1313 CA THR A 79 115.816 -0.047 6.937 1.00 0.00 C ATOM 1314 C THR A 79 117.206 -0.459 6.455 1.00 0.00 C ATOM 1315 O THR A 79 118.037 -0.893 7.225 1.00 0.00 O ATOM 1316 CB THR A 79 114.807 -1.175 6.714 1.00 0.00 C ATOM 1317 OG1 THR A 79 115.085 -2.242 7.611 1.00 0.00 O ATOM 1318 CG2 THR A 79 114.908 -1.678 5.273 1.00 0.00 C ATOM 0 H THR A 79 114.519 0.881 5.520 1.00 0.00 H new ATOM 0 HA THR A 79 115.906 0.206 7.994 1.00 0.00 H new ATOM 0 HB THR A 79 113.799 -0.801 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 79 114.289 -2.806 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.188 -2.482 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 79 114.693 -0.860 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.915 -2.052 5.088 1.00 0.00 H new ATOM 1326 N LEU A 80 117.469 -0.309 5.188 1.00 0.00 N ATOM 1327 CA LEU A 80 118.814 -0.670 4.661 1.00 0.00 C ATOM 1328 C LEU A 80 119.852 0.282 5.251 1.00 0.00 C ATOM 1329 O LEU A 80 120.709 -0.116 6.012 1.00 0.00 O ATOM 1330 CB LEU A 80 118.709 -0.485 3.147 1.00 0.00 C ATOM 1331 CG LEU A 80 120.109 -0.419 2.540 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.910 -1.649 2.968 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.000 -0.389 1.014 1.00 0.00 C ATOM 0 H LEU A 80 116.812 0.048 4.495 1.00 0.00 H new ATOM 0 HA LEU A 80 119.115 -1.686 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.150 -1.311 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.160 0.429 2.919 1.00 0.00 H new ATOM 0 HG LEU A 80 120.614 0.482 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.909 -1.602 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.987 -1.673 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.406 -2.551 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 80 120.998 -0.342 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.495 -1.291 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 80 119.429 0.487 0.707 1.00 0.00 H new ATOM 1345 N MET A 81 119.771 1.539 4.917 1.00 0.00 N ATOM 1346 CA MET A 81 120.747 2.519 5.469 1.00 0.00 C ATOM 1347 C MET A 81 120.850 2.361 6.988 1.00 0.00 C ATOM 1348 O MET A 81 121.898 2.562 7.571 1.00 0.00 O ATOM 1349 CB MET A 81 120.181 3.893 5.104 1.00 0.00 C ATOM 1350 CG MET A 81 120.903 4.974 5.910 1.00 0.00 C ATOM 1351 SD MET A 81 120.902 6.525 4.978 1.00 0.00 S ATOM 1352 CE MET A 81 121.917 7.483 6.129 1.00 0.00 C ATOM 0 H MET A 81 119.072 1.930 4.286 1.00 0.00 H new ATOM 0 HA MET A 81 121.750 2.376 5.068 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.305 4.077 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.111 3.924 5.311 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.410 5.115 6.872 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.927 4.664 6.119 1.00 0.00 H new ATOM 0 HE1 MET A 81 121.974 8.517 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.469 7.451 7.122 1.00 0.00 H new ATOM 0 HE3 MET A 81 122.920 7.059 6.169 1.00 0.00 H new ATOM 1362 N GLU A 82 119.777 1.997 7.636 1.00 0.00 N ATOM 1363 CA GLU A 82 119.828 1.823 9.117 1.00 0.00 C ATOM 1364 C GLU A 82 120.655 0.585 9.471 1.00 0.00 C ATOM 1365 O GLU A 82 121.393 0.571 10.437 1.00 0.00 O ATOM 1366 CB GLU A 82 118.372 1.636 9.547 1.00 0.00 C ATOM 1367 CG GLU A 82 118.233 1.969 11.034 1.00 0.00 C ATOM 1368 CD GLU A 82 117.830 0.710 11.803 1.00 0.00 C ATOM 1369 OE1 GLU A 82 117.019 -0.042 11.287 1.00 0.00 O ATOM 1370 OE2 GLU A 82 118.340 0.518 12.895 1.00 0.00 O ATOM 0 H GLU A 82 118.870 1.813 7.207 1.00 0.00 H new ATOM 0 HA GLU A 82 120.293 2.672 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.721 2.281 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.056 0.609 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.175 2.358 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.485 2.749 11.175 1.00 0.00 H new ATOM 1377 N TYR A 83 120.535 -0.457 8.696 1.00 0.00 N ATOM 1378 CA TYR A 83 121.305 -1.697 8.977 1.00 0.00 C ATOM 1379 C TYR A 83 122.800 -1.468 8.748 1.00 0.00 C ATOM 1380 O TYR A 83 123.635 -2.026 9.431 1.00 0.00 O ATOM 1381 CB TYR A 83 120.765 -2.719 7.979 1.00 0.00 C ATOM 1382 CG TYR A 83 121.205 -4.099 8.390 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.515 -4.518 8.137 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.305 -4.956 9.026 1.00 0.00 C ATOM 1385 CE1 TYR A 83 122.925 -5.800 8.520 1.00 0.00 C ATOM 1386 CE2 TYR A 83 120.712 -6.239 9.410 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.023 -6.662 9.157 1.00 0.00 C ATOM 1388 OH TYR A 83 122.427 -7.926 9.535 1.00 0.00 O ATOM 0 H TYR A 83 119.932 -0.501 7.875 1.00 0.00 H new ATOM 0 HA TYR A 83 121.195 -2.025 10.011 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.677 -2.668 7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 83 121.129 -2.493 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.210 -3.853 7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.294 -4.629 9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 83 123.936 -6.125 8.325 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.016 -6.902 9.901 1.00 0.00 H new ATOM 0 HH TYR A 83 121.680 -8.393 9.965 1.00 0.00 H new ATOM 1398 N LEU A 84 123.150 -0.654 7.788 1.00 0.00 N ATOM 1399 CA LEU A 84 124.597 -0.404 7.523 1.00 0.00 C ATOM 1400 C LEU A 84 125.139 0.627 8.517 1.00 0.00 C ATOM 1401 O LEU A 84 126.326 0.708 8.760 1.00 0.00 O ATOM 1402 CB LEU A 84 124.678 0.137 6.090 1.00 0.00 C ATOM 1403 CG LEU A 84 123.636 -0.540 5.189 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.973 -0.256 3.725 1.00 0.00 C ATOM 1405 CD2 LEU A 84 123.629 -2.058 5.419 1.00 0.00 C ATOM 0 H LEU A 84 122.502 -0.154 7.179 1.00 0.00 H new ATOM 0 HA LEU A 84 125.191 -1.311 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.516 1.215 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.677 -0.033 5.689 1.00 0.00 H new ATOM 0 HG LEU A 84 122.651 -0.142 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.235 -0.735 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.961 0.820 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.963 -0.650 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 84 122.884 -2.521 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 84 124.613 -2.465 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.385 -2.267 6.460 1.00 0.00 H new ATOM 1417 N ILE A 85 124.277 1.419 9.092 1.00 0.00 N ATOM 1418 CA ILE A 85 124.744 2.440 10.072 1.00 0.00 C ATOM 1419 C ILE A 85 125.312 1.739 11.311 1.00 0.00 C ATOM 1420 O ILE A 85 126.132 2.283 12.024 1.00 0.00 O ATOM 1421 CB ILE A 85 123.494 3.252 10.424 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.244 4.295 9.331 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.696 3.965 11.764 1.00 0.00 C ATOM 1424 CD1 ILE A 85 121.820 4.840 9.457 1.00 0.00 C ATOM 0 H ILE A 85 123.271 1.404 8.926 1.00 0.00 H new ATOM 0 HA ILE A 85 125.534 3.078 9.676 1.00 0.00 H new ATOM 0 HB ILE A 85 122.639 2.580 10.499 1.00 0.00 H new ATOM 0 HG12 ILE A 85 123.964 5.108 9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.387 3.847 8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.803 4.541 12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.877 3.227 12.545 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.552 4.636 11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.644 5.582 8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.107 4.023 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.693 5.304 10.435 1.00 0.00 H new ATOM 1436 N LYS A 86 124.884 0.533 11.566 1.00 0.00 N ATOM 1437 CA LYS A 86 125.399 -0.211 12.751 1.00 0.00 C ATOM 1438 C LYS A 86 126.419 -1.261 12.304 1.00 0.00 C ATOM 1439 O LYS A 86 127.572 -1.224 12.683 1.00 0.00 O ATOM 1440 CB LYS A 86 124.169 -0.884 13.361 1.00 0.00 C ATOM 1441 CG LYS A 86 124.044 -0.486 14.833 1.00 0.00 C ATOM 1442 CD LYS A 86 122.901 -1.273 15.477 1.00 0.00 C ATOM 1443 CE LYS A 86 121.631 -1.110 14.638 1.00 0.00 C ATOM 1444 NZ LYS A 86 120.576 -1.845 15.391 1.00 0.00 N ATOM 0 H LYS A 86 124.198 0.029 11.004 1.00 0.00 H new ATOM 0 HA LYS A 86 125.901 0.441 13.466 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.272 -0.588 12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.253 -1.967 13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.979 -0.687 15.356 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.856 0.584 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 86 123.168 -2.327 15.551 1.00 0.00 H new ATOM 0 HD3 LYS A 86 122.727 -0.917 16.492 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.370 -0.059 14.517 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.763 -1.523 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 119.674 -1.779 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.849 -2.844 15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 120.468 -1.425 16.336 1.00 0.00 H new ATOM 1458 N THR A 87 126.000 -2.198 11.497 1.00 0.00 N ATOM 1459 CA THR A 87 126.942 -3.251 11.019 1.00 0.00 C ATOM 1460 C THR A 87 127.458 -2.896 9.622 1.00 0.00 C ATOM 1461 O THR A 87 128.073 -3.701 8.951 1.00 0.00 O ATOM 1462 CB THR A 87 126.111 -4.533 10.974 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.973 -5.649 10.803 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.126 -4.463 9.807 1.00 0.00 C ATOM 0 H THR A 87 125.045 -2.280 11.148 1.00 0.00 H new ATOM 0 HA THR A 87 127.814 -3.354 11.665 1.00 0.00 H new ATOM 0 HB THR A 87 125.558 -4.641 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.441 -6.472 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.534 -5.378 9.775 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.465 -3.607 9.940 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.676 -4.355 8.872 1.00 0.00 H new ATOM 1472 N GLY A 88 127.210 -1.694 9.181 1.00 0.00 N ATOM 1473 CA GLY A 88 127.684 -1.279 7.828 1.00 0.00 C ATOM 1474 C GLY A 88 128.932 -0.405 7.970 1.00 0.00 C ATOM 1475 O GLY A 88 129.194 0.460 7.158 1.00 0.00 O ATOM 0 H GLY A 88 126.699 -0.979 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.910 -2.158 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 88 126.899 -0.729 7.309 1.00 0.00 H new ATOM 1479 N SER A 89 129.702 -0.626 9.000 1.00 0.00 N ATOM 1480 CA SER A 89 130.940 0.185 9.213 1.00 0.00 C ATOM 1481 C SER A 89 130.579 1.603 9.664 1.00 0.00 C ATOM 1482 O SER A 89 129.514 2.109 9.368 1.00 0.00 O ATOM 1483 CB SER A 89 131.648 0.216 7.858 1.00 0.00 C ATOM 1484 OG SER A 89 133.032 -0.050 8.046 1.00 0.00 O ATOM 0 H SER A 89 129.528 -1.338 9.709 1.00 0.00 H new ATOM 0 HA SER A 89 131.575 -0.242 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.211 -0.525 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.514 1.189 7.386 1.00 0.00 H new ATOM 0 HG SER A 89 133.158 -1.000 8.249 1.00 0.00 H new ATOM 1490 N GLU A 90 131.460 2.245 10.381 1.00 0.00 N ATOM 1491 CA GLU A 90 131.177 3.632 10.856 1.00 0.00 C ATOM 1492 C GLU A 90 131.087 4.593 9.670 1.00 0.00 C ATOM 1493 O GLU A 90 130.709 5.738 9.812 1.00 0.00 O ATOM 1494 CB GLU A 90 132.370 3.993 11.737 1.00 0.00 C ATOM 1495 CG GLU A 90 132.031 3.707 13.201 1.00 0.00 C ATOM 1496 CD GLU A 90 132.689 4.762 14.093 1.00 0.00 C ATOM 1497 OE1 GLU A 90 132.384 5.930 13.919 1.00 0.00 O ATOM 1498 OE2 GLU A 90 133.488 4.383 14.934 1.00 0.00 O ATOM 0 H GLU A 90 132.366 1.869 10.660 1.00 0.00 H new ATOM 0 HA GLU A 90 130.230 3.698 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.245 3.416 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.623 5.046 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 90 130.950 3.717 13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 90 132.380 2.712 13.478 1.00 0.00 H new ATOM 1505 N ARG A 91 131.430 4.134 8.500 1.00 0.00 N ATOM 1506 CA ARG A 91 131.363 5.020 7.304 1.00 0.00 C ATOM 1507 C ARG A 91 129.904 5.285 6.936 1.00 0.00 C ATOM 1508 O ARG A 91 129.514 6.403 6.665 1.00 0.00 O ATOM 1509 CB ARG A 91 132.067 4.242 6.192 1.00 0.00 C ATOM 1510 CG ARG A 91 133.521 3.984 6.591 1.00 0.00 C ATOM 1511 CD ARG A 91 134.188 5.308 6.975 1.00 0.00 C ATOM 1512 NE ARG A 91 134.032 5.400 8.453 1.00 0.00 N ATOM 1513 CZ ARG A 91 134.997 5.001 9.238 1.00 0.00 C ATOM 1514 NH1 ARG A 91 135.903 4.177 8.789 1.00 0.00 N ATOM 1515 NH2 ARG A 91 135.053 5.426 10.469 1.00 0.00 N ATOM 0 H ARG A 91 131.754 3.184 8.319 1.00 0.00 H new ATOM 0 HA ARG A 91 131.831 5.989 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.554 3.297 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.029 4.805 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.561 3.288 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.059 3.520 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 91 135.239 5.319 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.711 6.151 6.474 1.00 0.00 H new ATOM 0 HE ARG A 91 133.172 5.775 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.858 3.845 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 91 136.657 3.865 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 91 134.344 6.070 10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 91 135.806 5.115 11.082 1.00 0.00 H new ATOM 1529 N VAL A 92 129.095 4.264 6.931 1.00 0.00 N ATOM 1530 CA VAL A 92 127.660 4.455 6.588 1.00 0.00 C ATOM 1531 C VAL A 92 127.060 5.564 7.456 1.00 0.00 C ATOM 1532 O VAL A 92 126.385 6.451 6.971 1.00 0.00 O ATOM 1533 CB VAL A 92 126.998 3.115 6.897 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.487 3.239 6.685 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.559 2.039 5.961 1.00 0.00 C ATOM 0 H VAL A 92 129.366 3.305 7.150 1.00 0.00 H new ATOM 0 HA VAL A 92 127.516 4.748 5.548 1.00 0.00 H new ATOM 0 HB VAL A 92 127.201 2.836 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.009 2.284 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.088 4.006 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.286 3.516 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.086 1.082 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.355 2.314 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.636 1.954 6.108 1.00 0.00 H new ATOM 1545 N SER A 93 127.305 5.524 8.738 1.00 0.00 N ATOM 1546 CA SER A 93 126.754 6.579 9.636 1.00 0.00 C ATOM 1547 C SER A 93 127.365 7.936 9.282 1.00 0.00 C ATOM 1548 O SER A 93 126.707 8.956 9.331 1.00 0.00 O ATOM 1549 CB SER A 93 127.165 6.157 11.046 1.00 0.00 C ATOM 1550 OG SER A 93 126.372 6.857 11.995 1.00 0.00 O ATOM 0 H SER A 93 127.863 4.807 9.202 1.00 0.00 H new ATOM 0 HA SER A 93 125.673 6.680 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 127.035 5.082 11.169 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.221 6.371 11.209 1.00 0.00 H new ATOM 0 HG SER A 93 126.632 6.587 12.901 1.00 0.00 H new ATOM 1556 N GLN A 94 128.619 7.956 8.921 1.00 0.00 N ATOM 1557 CA GLN A 94 129.268 9.248 8.559 1.00 0.00 C ATOM 1558 C GLN A 94 128.510 9.904 7.407 1.00 0.00 C ATOM 1559 O GLN A 94 128.203 11.079 7.439 1.00 0.00 O ATOM 1560 CB GLN A 94 130.689 8.876 8.134 1.00 0.00 C ATOM 1561 CG GLN A 94 131.501 8.468 9.366 1.00 0.00 C ATOM 1562 CD GLN A 94 132.026 9.721 10.068 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.608 10.584 9.441 1.00 0.00 O ATOM 1564 NE2 GLN A 94 131.844 9.859 11.353 1.00 0.00 N ATOM 0 H GLN A 94 129.221 7.135 8.861 1.00 0.00 H new ATOM 0 HA GLN A 94 129.271 9.960 9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.662 8.057 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.164 9.721 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.880 7.889 10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.333 7.828 9.071 1.00 0.00 H new ATOM 0 HE21 GLN A 94 131.355 9.135 11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 94 132.190 10.691 11.831 1.00 0.00 H new ATOM 1573 N GLN A 95 128.196 9.149 6.394 1.00 0.00 N ATOM 1574 CA GLN A 95 127.445 9.725 5.244 1.00 0.00 C ATOM 1575 C GLN A 95 126.098 10.263 5.729 1.00 0.00 C ATOM 1576 O GLN A 95 125.648 11.310 5.310 1.00 0.00 O ATOM 1577 CB GLN A 95 127.243 8.560 4.276 1.00 0.00 C ATOM 1578 CG GLN A 95 126.550 9.063 3.008 1.00 0.00 C ATOM 1579 CD GLN A 95 127.598 9.338 1.927 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.337 9.161 0.754 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.780 9.765 2.276 1.00 0.00 N ATOM 0 H GLN A 95 128.426 8.159 6.311 1.00 0.00 H new ATOM 0 HA GLN A 95 127.973 10.553 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.204 8.112 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 95 126.642 7.782 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.833 8.322 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 95 125.988 9.972 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 95 128.998 9.913 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.486 9.951 1.564 1.00 0.00 H new ATOM 1590 N CYS A 96 125.457 9.556 6.622 1.00 0.00 N ATOM 1591 CA CYS A 96 124.146 10.033 7.142 1.00 0.00 C ATOM 1592 C CYS A 96 124.300 11.448 7.697 1.00 0.00 C ATOM 1593 O CYS A 96 123.458 12.301 7.498 1.00 0.00 O ATOM 1594 CB CYS A 96 123.776 9.053 8.256 1.00 0.00 C ATOM 1595 SG CYS A 96 122.162 9.500 8.941 1.00 0.00 S ATOM 0 H CYS A 96 125.785 8.672 7.012 1.00 0.00 H new ATOM 0 HA CYS A 96 123.377 10.069 6.370 1.00 0.00 H new ATOM 0 HB2 CYS A 96 123.748 8.036 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.534 9.073 9.039 1.00 0.00 H new ATOM 0 HG CYS A 96 122.298 10.511 9.747 1.00 0.00 H new ATOM 1601 N LYS A 97 125.378 11.703 8.383 1.00 0.00 N ATOM 1602 CA LYS A 97 125.599 13.065 8.945 1.00 0.00 C ATOM 1603 C LYS A 97 125.925 14.042 7.814 1.00 0.00 C ATOM 1604 O LYS A 97 125.632 15.219 7.890 1.00 0.00 O ATOM 1605 CB LYS A 97 126.792 12.917 9.889 1.00 0.00 C ATOM 1606 CG LYS A 97 126.481 13.610 11.218 1.00 0.00 C ATOM 1607 CD LYS A 97 126.995 12.750 12.374 1.00 0.00 C ATOM 1608 CE LYS A 97 125.822 12.337 13.264 1.00 0.00 C ATOM 1609 NZ LYS A 97 125.370 11.026 12.720 1.00 0.00 N ATOM 0 H LYS A 97 126.116 11.027 8.579 1.00 0.00 H new ATOM 0 HA LYS A 97 124.721 13.452 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 97 127.006 11.862 10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.683 13.355 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.950 14.594 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.407 13.766 11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 97 127.500 11.865 11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.729 13.306 12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.129 12.247 14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 97 125.021 13.076 13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 124.341 11.047 12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 125.845 10.844 11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 125.608 10.270 13.393 1.00 0.00 H new ATOM 1623 N GLU A 98 126.527 13.557 6.765 1.00 0.00 N ATOM 1624 CA GLU A 98 126.873 14.447 5.620 1.00 0.00 C ATOM 1625 C GLU A 98 125.650 14.642 4.720 1.00 0.00 C ATOM 1626 O GLU A 98 125.628 15.500 3.861 1.00 0.00 O ATOM 1627 CB GLU A 98 127.983 13.709 4.870 1.00 0.00 C ATOM 1628 CG GLU A 98 129.033 13.215 5.867 1.00 0.00 C ATOM 1629 CD GLU A 98 130.401 13.791 5.498 1.00 0.00 C ATOM 1630 OE1 GLU A 98 131.072 13.191 4.674 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.756 14.822 6.045 1.00 0.00 O ATOM 0 H GLU A 98 126.796 12.580 6.650 1.00 0.00 H new ATOM 0 HA GLU A 98 127.191 15.438 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.566 12.867 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.445 14.372 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.760 13.518 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.072 12.126 5.860 1.00 0.00 H new ATOM 1638 N ASN A 99 124.630 13.851 4.915 1.00 0.00 N ATOM 1639 CA ASN A 99 123.407 13.985 4.078 1.00 0.00 C ATOM 1640 C ASN A 99 122.157 13.874 4.954 1.00 0.00 C ATOM 1641 O ASN A 99 121.191 13.231 4.595 1.00 0.00 O ATOM 1642 CB ASN A 99 123.472 12.824 3.086 1.00 0.00 C ATOM 1643 CG ASN A 99 124.473 13.153 1.977 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.036 14.229 1.949 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.721 12.263 1.055 1.00 0.00 N ATOM 0 H ASN A 99 124.592 13.116 5.621 1.00 0.00 H new ATOM 0 HA ASN A 99 123.357 14.948 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 99 123.770 11.910 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.486 12.642 2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 99 125.387 12.471 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.248 11.359 1.078 1.00 0.00 H new ATOM 1652 N MET A 100 122.169 14.495 6.102 1.00 0.00 N ATOM 1653 CA MET A 100 120.982 14.425 7.002 1.00 0.00 C ATOM 1654 C MET A 100 119.749 14.994 6.297 1.00 0.00 C ATOM 1655 O MET A 100 118.646 14.521 6.477 1.00 0.00 O ATOM 1656 CB MET A 100 121.353 15.283 8.212 1.00 0.00 C ATOM 1657 CG MET A 100 121.436 14.401 9.460 1.00 0.00 C ATOM 1658 SD MET A 100 121.036 15.389 10.924 1.00 0.00 S ATOM 1659 CE MET A 100 122.618 16.256 11.053 1.00 0.00 C ATOM 0 H MET A 100 122.950 15.048 6.456 1.00 0.00 H new ATOM 0 HA MET A 100 120.739 13.401 7.287 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.309 15.778 8.040 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.609 16.067 8.357 1.00 0.00 H new ATOM 0 HG2 MET A 100 120.744 13.563 9.373 1.00 0.00 H new ATOM 0 HG3 MET A 100 122.437 13.979 9.555 1.00 0.00 H new ATOM 0 HE1 MET A 100 122.600 16.920 11.917 1.00 0.00 H new ATOM 0 HE2 MET A 100 123.422 15.530 11.170 1.00 0.00 H new ATOM 0 HE3 MET A 100 122.787 16.842 10.149 1.00 0.00 H new ATOM 1669 N TYR A 101 119.931 16.006 5.497 1.00 0.00 N ATOM 1670 CA TYR A 101 118.771 16.608 4.780 1.00 0.00 C ATOM 1671 C TYR A 101 118.117 15.567 3.868 1.00 0.00 C ATOM 1672 O TYR A 101 116.945 15.648 3.559 1.00 0.00 O ATOM 1673 CB TYR A 101 119.364 17.751 3.956 1.00 0.00 C ATOM 1674 CG TYR A 101 120.072 18.719 4.874 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.436 19.177 6.035 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.363 19.162 4.564 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.091 20.075 6.886 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.019 20.062 5.414 1.00 0.00 C ATOM 1679 CZ TYR A 101 121.383 20.518 6.574 1.00 0.00 C ATOM 1680 OH TYR A 101 122.029 21.405 7.412 1.00 0.00 O ATOM 0 H TYR A 101 120.833 16.443 5.308 1.00 0.00 H new ATOM 0 HA TYR A 101 117.998 16.960 5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.062 17.357 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.575 18.265 3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.439 18.837 6.274 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.854 18.810 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.601 20.426 7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 101 123.015 20.404 5.174 1.00 0.00 H new ATOM 0 HH TYR A 101 122.917 21.609 7.050 1.00 0.00 H new ATOM 1690 N ALA A 102 118.866 14.589 3.438 1.00 0.00 N ATOM 1691 CA ALA A 102 118.287 13.543 2.548 1.00 0.00 C ATOM 1692 C ALA A 102 117.397 12.597 3.356 1.00 0.00 C ATOM 1693 O ALA A 102 116.337 12.196 2.918 1.00 0.00 O ATOM 1694 CB ALA A 102 119.492 12.790 1.984 1.00 0.00 C ATOM 0 H ALA A 102 119.853 14.469 3.664 1.00 0.00 H new ATOM 0 HA ALA A 102 117.667 13.970 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.148 12.000 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.127 13.482 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 102 120.062 12.350 2.802 1.00 0.00 H new ATOM 1700 N VAL A 103 117.822 12.239 4.533 1.00 0.00 N ATOM 1701 CA VAL A 103 117.005 11.317 5.375 1.00 0.00 C ATOM 1702 C VAL A 103 115.805 12.066 5.961 1.00 0.00 C ATOM 1703 O VAL A 103 114.784 11.480 6.264 1.00 0.00 O ATOM 1704 CB VAL A 103 117.942 10.850 6.490 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.369 9.586 7.133 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.324 10.540 5.905 1.00 0.00 C ATOM 0 H VAL A 103 118.701 12.544 4.951 1.00 0.00 H new ATOM 0 HA VAL A 103 116.611 10.478 4.802 1.00 0.00 H new ATOM 0 HB VAL A 103 118.035 11.636 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 103 118.034 9.249 7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.385 9.803 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.279 8.803 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.990 10.207 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.234 9.754 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.733 11.438 5.442 1.00 0.00 H new ATOM 1716 N GLN A 104 115.922 13.355 6.128 1.00 0.00 N ATOM 1717 CA GLN A 104 114.792 14.140 6.698 1.00 0.00 C ATOM 1718 C GLN A 104 113.852 14.610 5.583 1.00 0.00 C ATOM 1719 O GLN A 104 112.688 14.875 5.812 1.00 0.00 O ATOM 1720 CB GLN A 104 115.451 15.334 7.386 1.00 0.00 C ATOM 1721 CG GLN A 104 116.105 14.872 8.689 1.00 0.00 C ATOM 1722 CD GLN A 104 116.435 16.089 9.555 1.00 0.00 C ATOM 1723 OE1 GLN A 104 116.131 16.112 10.731 1.00 0.00 O ATOM 1724 NE2 GLN A 104 117.046 17.110 9.018 1.00 0.00 N ATOM 0 H GLN A 104 116.753 13.899 5.894 1.00 0.00 H new ATOM 0 HA GLN A 104 114.188 13.552 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.198 15.779 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.708 16.104 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.435 14.201 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.013 14.309 8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 104 117.301 17.090 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 104 117.268 17.928 9.586 1.00 0.00 H new ATOM 1733 N THR A 105 114.344 14.718 4.380 1.00 0.00 N ATOM 1734 CA THR A 105 113.471 15.172 3.259 1.00 0.00 C ATOM 1735 C THR A 105 112.321 14.185 3.054 1.00 0.00 C ATOM 1736 O THR A 105 111.280 14.526 2.528 1.00 0.00 O ATOM 1737 CB THR A 105 114.378 15.197 2.028 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.699 15.836 0.956 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.738 13.766 1.625 1.00 0.00 C ATOM 0 H THR A 105 115.310 14.512 4.124 1.00 0.00 H new ATOM 0 HA THR A 105 113.025 16.147 3.455 1.00 0.00 H new ATOM 0 HB THR A 105 115.291 15.745 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.279 15.855 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.384 13.787 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.259 13.276 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.828 13.214 1.392 1.00 0.00 H new ATOM 1747 N LEU A 106 112.501 12.962 3.469 1.00 0.00 N ATOM 1748 CA LEU A 106 111.419 11.950 3.302 1.00 0.00 C ATOM 1749 C LEU A 106 110.256 12.263 4.247 1.00 0.00 C ATOM 1750 O LEU A 106 109.101 12.144 3.888 1.00 0.00 O ATOM 1751 CB LEU A 106 112.068 10.618 3.673 1.00 0.00 C ATOM 1752 CG LEU A 106 112.627 9.952 2.415 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.468 8.736 2.810 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.471 9.497 1.523 1.00 0.00 C ATOM 0 H LEU A 106 113.351 12.619 3.917 1.00 0.00 H new ATOM 0 HA LEU A 106 111.012 11.938 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.867 10.780 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.336 9.965 4.148 1.00 0.00 H new ATOM 0 HG LEU A 106 113.249 10.666 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.866 8.262 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.292 9.055 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.846 8.023 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 106 111.869 9.022 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.851 8.784 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 106 110.868 10.360 1.240 1.00 0.00 H new ATOM 1766 N LYS A 107 110.554 12.662 5.452 1.00 0.00 N ATOM 1767 CA LYS A 107 109.468 12.984 6.422 1.00 0.00 C ATOM 1768 C LYS A 107 108.418 13.883 5.766 1.00 0.00 C ATOM 1769 O LYS A 107 107.237 13.770 6.029 1.00 0.00 O ATOM 1770 CB LYS A 107 110.164 13.720 7.569 1.00 0.00 C ATOM 1771 CG LYS A 107 109.184 13.904 8.729 1.00 0.00 C ATOM 1772 CD LYS A 107 109.595 15.124 9.556 1.00 0.00 C ATOM 1773 CE LYS A 107 110.941 14.852 10.233 1.00 0.00 C ATOM 1774 NZ LYS A 107 111.947 15.541 9.377 1.00 0.00 N ATOM 0 H LYS A 107 111.503 12.779 5.808 1.00 0.00 H new ATOM 0 HA LYS A 107 108.948 12.091 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 107 111.035 13.155 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.524 14.690 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.172 14.035 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 107 109.175 13.013 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.669 16.003 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.835 15.340 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.957 15.240 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 107 111.142 13.783 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 112.593 16.093 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 112.490 14.834 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 111.461 16.178 8.714 1.00 0.00 H new ATOM 1987 N VAL A 121 102.917 7.301 5.083 1.00 0.00 N ATOM 1988 CA VAL A 121 103.426 7.439 6.476 1.00 0.00 C ATOM 1989 C VAL A 121 104.476 6.361 6.760 1.00 0.00 C ATOM 1990 O VAL A 121 105.512 6.622 7.333 1.00 0.00 O ATOM 1991 CB VAL A 121 102.193 7.252 7.364 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.860 5.763 7.501 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.466 7.842 8.749 1.00 0.00 C ATOM 0 HA VAL A 121 103.909 8.400 6.654 1.00 0.00 H new ATOM 0 HB VAL A 121 101.347 7.764 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.981 5.643 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.656 5.344 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.705 5.241 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.588 7.709 9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.318 7.333 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.687 8.905 8.654 1.00 0.00 H new ATOM 2003 N ASN A 122 104.209 5.152 6.360 1.00 0.00 N ATOM 2004 CA ASN A 122 105.185 4.053 6.604 1.00 0.00 C ATOM 2005 C ASN A 122 106.608 4.527 6.297 1.00 0.00 C ATOM 2006 O ASN A 122 107.528 4.291 7.054 1.00 0.00 O ATOM 2007 CB ASN A 122 104.773 2.938 5.644 1.00 0.00 C ATOM 2008 CG ASN A 122 104.881 1.588 6.355 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.846 1.521 7.567 1.00 0.00 O ATOM 2010 ND2 ASN A 122 105.009 0.501 5.644 1.00 0.00 N ATOM 0 H ASN A 122 103.356 4.875 5.874 1.00 0.00 H new ATOM 0 HA ASN A 122 105.180 3.721 7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.751 3.099 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.412 2.949 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 122 105.080 -0.405 6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.038 0.558 4.626 1.00 0.00 H new ATOM 2017 N VAL A 123 106.797 5.192 5.190 1.00 0.00 N ATOM 2018 CA VAL A 123 108.161 5.676 4.831 1.00 0.00 C ATOM 2019 C VAL A 123 108.462 6.994 5.562 1.00 0.00 C ATOM 2020 O VAL A 123 109.573 7.242 5.978 1.00 0.00 O ATOM 2021 CB VAL A 123 108.116 5.856 3.300 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.651 7.233 2.886 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.971 4.771 2.643 1.00 0.00 C ATOM 0 H VAL A 123 106.065 5.421 4.518 1.00 0.00 H new ATOM 0 HA VAL A 123 108.954 4.988 5.124 1.00 0.00 H new ATOM 0 HB VAL A 123 107.079 5.777 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.606 7.330 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.043 8.013 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.684 7.337 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.944 4.892 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 123 110.000 4.858 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 123 108.579 3.789 2.908 1.00 0.00 H new ATOM 2033 N ARG A 124 107.484 7.842 5.709 1.00 0.00 N ATOM 2034 CA ARG A 124 107.718 9.142 6.403 1.00 0.00 C ATOM 2035 C ARG A 124 108.346 8.918 7.783 1.00 0.00 C ATOM 2036 O ARG A 124 109.437 9.375 8.063 1.00 0.00 O ATOM 2037 CB ARG A 124 106.331 9.769 6.546 1.00 0.00 C ATOM 2038 CG ARG A 124 106.403 10.954 7.510 1.00 0.00 C ATOM 2039 CD ARG A 124 105.228 11.899 7.249 1.00 0.00 C ATOM 2040 NE ARG A 124 104.011 11.082 7.511 1.00 0.00 N ATOM 2041 CZ ARG A 124 102.830 11.563 7.234 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.272 12.425 8.039 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.210 11.183 6.151 1.00 0.00 N ATOM 0 H ARG A 124 106.531 7.693 5.379 1.00 0.00 H new ATOM 0 HA ARG A 124 108.405 9.780 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.968 10.100 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.622 9.028 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.376 10.600 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 124 107.346 11.485 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.268 12.769 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 124 105.241 12.271 6.225 1.00 0.00 H new ATOM 0 HE ARG A 124 104.100 10.146 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 124 102.759 12.723 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.349 12.801 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 124 102.648 10.511 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.287 11.558 5.934 1.00 0.00 H new ATOM 2057 N GLU A 125 107.657 8.232 8.648 1.00 0.00 N ATOM 2058 CA GLU A 125 108.194 7.987 10.019 1.00 0.00 C ATOM 2059 C GLU A 125 109.446 7.101 9.976 1.00 0.00 C ATOM 2060 O GLU A 125 110.397 7.328 10.698 1.00 0.00 O ATOM 2061 CB GLU A 125 107.063 7.274 10.761 1.00 0.00 C ATOM 2062 CG GLU A 125 106.037 8.303 11.239 1.00 0.00 C ATOM 2063 CD GLU A 125 104.884 7.585 11.944 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.733 6.394 11.725 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.173 8.238 12.689 1.00 0.00 O ATOM 0 H GLU A 125 106.739 7.827 8.466 1.00 0.00 H new ATOM 0 HA GLU A 125 108.493 8.915 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.585 6.546 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.463 6.722 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.508 9.013 11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.659 8.876 10.392 1.00 0.00 H new ATOM 2072 N LYS A 126 109.455 6.094 9.148 1.00 0.00 N ATOM 2073 CA LYS A 126 110.649 5.201 9.082 1.00 0.00 C ATOM 2074 C LYS A 126 111.918 6.030 8.866 1.00 0.00 C ATOM 2075 O LYS A 126 112.891 5.892 9.579 1.00 0.00 O ATOM 2076 CB LYS A 126 110.396 4.281 7.889 1.00 0.00 C ATOM 2077 CG LYS A 126 111.383 3.113 7.927 1.00 0.00 C ATOM 2078 CD LYS A 126 111.056 2.205 9.115 1.00 0.00 C ATOM 2079 CE LYS A 126 112.089 1.079 9.197 1.00 0.00 C ATOM 2080 NZ LYS A 126 111.454 -0.077 8.507 1.00 0.00 N ATOM 0 H LYS A 126 108.692 5.850 8.516 1.00 0.00 H new ATOM 0 HA LYS A 126 110.793 4.637 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.372 3.907 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.509 4.836 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.328 2.547 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.403 3.488 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 126 111.058 2.783 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.055 1.787 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 126 113.023 1.364 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 126 112.328 0.838 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.182 -0.780 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 110.748 -0.511 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 110.988 0.251 7.637 1.00 0.00 H new ATOM 2094 N ALA A 127 111.911 6.889 7.887 1.00 0.00 N ATOM 2095 CA ALA A 127 113.113 7.730 7.622 1.00 0.00 C ATOM 2096 C ALA A 127 113.452 8.563 8.862 1.00 0.00 C ATOM 2097 O ALA A 127 114.593 8.649 9.272 1.00 0.00 O ATOM 2098 CB ALA A 127 112.712 8.637 6.458 1.00 0.00 C ATOM 0 H ALA A 127 111.124 7.046 7.257 1.00 0.00 H new ATOM 0 HA ALA A 127 113.995 7.134 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.546 9.290 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.450 8.026 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.853 9.243 6.748 1.00 0.00 H new ATOM 2104 N LYS A 128 112.468 9.172 9.465 1.00 0.00 N ATOM 2105 CA LYS A 128 112.735 9.994 10.680 1.00 0.00 C ATOM 2106 C LYS A 128 113.576 9.193 11.677 1.00 0.00 C ATOM 2107 O LYS A 128 114.545 9.684 12.221 1.00 0.00 O ATOM 2108 CB LYS A 128 111.354 10.298 11.263 1.00 0.00 C ATOM 2109 CG LYS A 128 111.514 11.081 12.568 1.00 0.00 C ATOM 2110 CD LYS A 128 110.252 11.905 12.829 1.00 0.00 C ATOM 2111 CE LYS A 128 110.646 13.308 13.298 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.529 13.263 14.782 1.00 0.00 N ATOM 0 H LYS A 128 111.492 9.136 9.170 1.00 0.00 H new ATOM 0 HA LYS A 128 113.289 10.905 10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.765 10.875 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.812 9.370 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.691 10.395 13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 128 112.383 11.737 12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.652 11.969 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.636 11.417 13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 128 111.661 13.557 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.988 14.066 12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 110.783 14.190 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 109.550 13.030 15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 111.171 12.537 15.159 1.00 0.00 H new ATOM 2126 N GLN A 129 113.213 7.964 11.919 1.00 0.00 N ATOM 2127 CA GLN A 129 113.991 7.130 12.880 1.00 0.00 C ATOM 2128 C GLN A 129 115.462 7.078 12.460 1.00 0.00 C ATOM 2129 O GLN A 129 116.351 7.330 13.247 1.00 0.00 O ATOM 2130 CB GLN A 129 113.360 5.739 12.799 1.00 0.00 C ATOM 2131 CG GLN A 129 112.780 5.361 14.163 1.00 0.00 C ATOM 2132 CD GLN A 129 111.614 6.292 14.498 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.548 6.838 15.581 1.00 0.00 O ATOM 2134 NE2 GLN A 129 110.683 6.498 13.606 1.00 0.00 N ATOM 0 H GLN A 129 112.411 7.500 11.493 1.00 0.00 H new ATOM 0 HA GLN A 129 113.963 7.531 13.893 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.575 5.728 12.043 1.00 0.00 H new ATOM 0 HB3 GLN A 129 114.107 5.006 12.494 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.440 4.325 14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 129 113.550 5.435 14.931 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.738 6.040 12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 129 109.901 7.117 13.819 1.00 0.00 H new ATOM 2143 N LEU A 130 115.725 6.752 11.225 1.00 0.00 N ATOM 2144 CA LEU A 130 117.140 6.685 10.758 1.00 0.00 C ATOM 2145 C LEU A 130 117.898 7.940 11.199 1.00 0.00 C ATOM 2146 O LEU A 130 119.089 7.907 11.438 1.00 0.00 O ATOM 2147 CB LEU A 130 117.052 6.616 9.234 1.00 0.00 C ATOM 2148 CG LEU A 130 118.405 6.192 8.659 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.736 4.772 9.123 1.00 0.00 C ATOM 2150 CD2 LEU A 130 118.341 6.226 7.131 1.00 0.00 C ATOM 0 H LEU A 130 115.023 6.529 10.519 1.00 0.00 H new ATOM 0 HA LEU A 130 117.674 5.829 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.281 5.906 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.763 7.587 8.832 1.00 0.00 H new ATOM 0 HG LEU A 130 119.178 6.877 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.700 4.471 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.781 4.746 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.963 4.086 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.304 5.924 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.567 5.541 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 130 118.106 7.237 6.799 1.00 0.00 H new ATOM 2162 N VAL A 131 117.215 9.047 11.305 1.00 0.00 N ATOM 2163 CA VAL A 131 117.893 10.305 11.729 1.00 0.00 C ATOM 2164 C VAL A 131 118.035 10.344 13.255 1.00 0.00 C ATOM 2165 O VAL A 131 119.003 10.851 13.785 1.00 0.00 O ATOM 2166 CB VAL A 131 116.976 11.431 11.248 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.359 12.738 11.943 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.124 11.600 9.733 1.00 0.00 C ATOM 0 H VAL A 131 116.216 9.135 11.116 1.00 0.00 H new ATOM 0 HA VAL A 131 118.898 10.391 11.315 1.00 0.00 H new ATOM 0 HB VAL A 131 115.943 11.181 11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.704 13.539 11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.253 12.621 13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.393 12.987 11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.470 12.402 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.158 11.848 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.849 10.670 9.235 1.00 0.00 H new ATOM 2178 N ALA A 132 117.075 9.812 13.962 1.00 0.00 N ATOM 2179 CA ALA A 132 117.151 9.820 15.453 1.00 0.00 C ATOM 2180 C ALA A 132 118.223 8.840 15.942 1.00 0.00 C ATOM 2181 O ALA A 132 119.172 9.222 16.598 1.00 0.00 O ATOM 2182 CB ALA A 132 115.766 9.372 15.920 1.00 0.00 C ATOM 0 H ALA A 132 116.241 9.372 13.573 1.00 0.00 H new ATOM 0 HA ALA A 132 117.420 10.801 15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.738 9.351 17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 132 115.014 10.070 15.551 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.556 8.375 15.533 1.00 0.00 H new ATOM 2188 N LEU A 133 118.077 7.580 15.632 1.00 0.00 N ATOM 2189 CA LEU A 133 119.084 6.576 16.083 1.00 0.00 C ATOM 2190 C LEU A 133 120.502 7.130 15.915 1.00 0.00 C ATOM 2191 O LEU A 133 121.417 6.743 16.616 1.00 0.00 O ATOM 2192 CB LEU A 133 118.871 5.363 15.176 1.00 0.00 C ATOM 2193 CG LEU A 133 119.359 4.099 15.888 1.00 0.00 C ATOM 2194 CD1 LEU A 133 118.335 2.978 15.700 1.00 0.00 C ATOM 2195 CD2 LEU A 133 120.702 3.667 15.293 1.00 0.00 C ATOM 0 H LEU A 133 117.303 7.202 15.085 1.00 0.00 H new ATOM 0 HA LEU A 133 118.967 6.323 17.137 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.815 5.266 14.923 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.412 5.497 14.239 1.00 0.00 H new ATOM 0 HG LEU A 133 119.480 4.305 16.952 1.00 0.00 H new ATOM 0 HD11 LEU A 133 118.683 2.078 16.207 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.378 3.285 16.122 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.213 2.771 14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 133 121.051 2.767 15.799 1.00 0.00 H new ATOM 0 HD22 LEU A 133 120.580 3.461 14.230 1.00 0.00 H new ATOM 0 HD23 LEU A 133 121.433 4.465 15.426 1.00 0.00 H new ATOM 2207 N LEU A 134 120.691 8.032 14.991 1.00 0.00 N ATOM 2208 CA LEU A 134 122.051 8.608 14.782 1.00 0.00 C ATOM 2209 C LEU A 134 122.243 9.844 15.664 1.00 0.00 C ATOM 2210 O LEU A 134 123.305 10.071 16.209 1.00 0.00 O ATOM 2211 CB LEU A 134 122.095 8.989 13.302 1.00 0.00 C ATOM 2212 CG LEU A 134 122.697 7.837 12.498 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.580 7.072 11.785 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.674 8.395 11.460 1.00 0.00 C ATOM 0 H LEU A 134 119.965 8.395 14.373 1.00 0.00 H new ATOM 0 HA LEU A 134 122.843 7.907 15.045 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.090 9.212 12.943 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.690 9.892 13.165 1.00 0.00 H new ATOM 0 HG LEU A 134 123.226 7.163 13.172 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.010 6.251 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.883 6.674 12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.050 7.746 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.104 7.574 10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.144 9.069 10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.471 8.940 11.966 1.00 0.00 H new